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

Systemtic Name: 5-[[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]methyl]-2-methoxy-benzoic acid Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO4/c1-12-3-5-14(16(20)9-12)6-8-18(22)21-11-13-4-7-17(25-2)15(10-13)19(23)24/h3-10H,11H2,1-2H3,(H,21,22)(H,23,24)/b8-6+