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

Systemtic Name: 4-chloranyl-2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-chloro-2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-chloro-2-[[(E)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-amylphenyl)acryloyl]amino]-4-chloro-benzoic acid Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C21H22ClNO3/c1-2-3-4-5-15-6-8-16(9-7-15)10-13-20(24)23-19-14-17(22)11-12-18(19)21(25)26/h6-14H,2-5H2,1H3,(H,23,24)(H,25,26)/b13-10+