2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid (Q27195369)

2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid (English)

11 October 2016

chemical formula

C₂₁H₂₃NO₃

1 reference

2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid (English)

11 October 2016

canonical SMILES

CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O

1 reference

2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid (English)

InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)

11 October 2016

Identifiers

InChI

1 reference

2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid (English)

11 October 2016

2 references

2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid (English)

CAS (formerly Chemical Abstracts Service)

11 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

110683-10-8

1 reference

stated in

25 January 2022

1 reference

2-{[3-(4-Pentylphenyl)acryloyl]amino}benzoic acid (English)

11 October 2016

2 references

2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid (English)

11 October 2016

ChEBI ID

114200

mapping relation type

2 references

2-[[1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid (English)

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)

1 reference

1 reference

Human Metabolome Database ID

HMDB0255026

2 references

based on heuristic

inferred from InChIKey