2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(p-tolyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[2-[(2-carboxyanilino)-oxomethyl]-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(p-tolyl)acryloyl]amino]benzoic acid Formula: C25H20N2O6 MolecularWeight: 444.4361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H20N2O6/c1-15-10-12-16(13-11-15)14-19(22(28)26-20-8-4-2-6-17(20)24(30)31)23(29)27-21-9-5-3-7-18(21)25(32)33/h2-14H,1H3,(H,26,28)(H,27,29)(H,30,31)(H,32,33)