4-[(E)-2-[(3-methoxyphenyl)carbamoyl]-3-oxidanylidene-3-pyridin-3-yl-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-[(3-methoxyphenyl)carbamoyl]-3-oxidanylidene-3-pyridin-3-yl-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-[(3-methoxyphenyl)carbamoyl]-3-oxo-3-(3-pyridyl)prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-[(3-methoxyanilino)-oxomethyl]-3-oxo-3-(3-pyridinyl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-[(3-methoxyphenyl)carbamoyl]-3-oxo-3-pyridin-3-ylprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-keto-2-[(3-methoxyphenyl)carbamoyl]-3-(3-pyridyl)prop-1-enyl]benzoic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)C3=CN=CC=C3

InChI

InChI=1S/C23H18N2O5/c1-30-19-6-2-5-18(13-19)25-22(27)20(21(26)17-4-3-11-24-14-17)12-15-7-9-16(10-8-15)23(28)29/h2-14H,1H3,(H,25,27)(H,28,29)/b20-12+