2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-amylphenyl)acryloyl]amino]benzoic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/b15-14+