5-[[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)NCC2=CC(=C(C=C2)OC)C(=O)O)Cl

InChI

InChI=1S/C19H18ClNO4/c1-12-3-4-13(10-16(12)20)6-8-18(22)21-11-14-5-7-17(25-2)15(9-14)19(23)24/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24)/b8-6+