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

Systemtic Name: 2-azanyl-3-[(E)-3-(4-pentylphenyl)prop-2-enoyl]benzoic acid Openeye Name: 2-amino-3-[(E)-3-(4-pentylphenyl)prop-2-enoyl]benzoic acid CAS Name: 2-amino-3-[(E)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]benzoic acid IUPAC Name: 2-amino-3-[(E)-3-(4-pentylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 2-amino-3-[(E)-3-(4-amylphenyl)acryloyl]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)C2=C(C(=CC=C2)C(=O)O)N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=CC=C2)C(=O)O)N

InChI

InChI=1S/C21H23NO3/c1-2-3-4-6-15-9-11-16(12-10-15)13-14-19(23)17-7-5-8-18(20(17)22)21(24)25/h5,7-14H,2-4,6,22H2,1H3,(H,24,25)/b14-13+