2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[2-[(2-carboxyanilino)-oxomethyl]-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[2-[(2-carboxyphenyl)carbamoyl]-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid Formula: C25H20N2O8 MolecularWeight: 476.4349

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)C(=O)NC3=CC=CC=C3C(=O)O)O

InChI

InChI=1S/C25H20N2O8/c1-35-21-13-14(10-11-20(21)28)12-17(22(29)26-18-8-4-2-6-15(18)24(31)32)23(30)27-19-9-5-3-7-16(19)25(33)34/h2-13,28H,1H3,(H,26,29)(H,27,30)(H,31,32)(H,33,34)