methyl 4-[4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-1-(3-pyridylmethyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1-(3-pyridinylmethyl)-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-1-(3-pyridylmethyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CN=CC=C3)O)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O5/c1-34-27(33)21-12-10-20(11-13-21)24-23(22(30)14-9-18-6-3-2-4-7-18)25(31)26(32)29(24)17-19-8-5-15-28-16-19/h2-16,24,31H,17H2,1H3/b14-9+