methyl 4-[4-oxidanyl-5-oxidanylidene-1-(phenylmethyl)-3-(3-phenylpropanoyl)-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[4-oxidanyl-5-oxidanylidene-1-(phenylmethyl)-3-(3-phenylpropanoyl)-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-benzyl-4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-5-oxo-3-(1-oxo-3-phenylpropyl)-1-(phenylmethyl)-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-benzyl-4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-(1-benzyl-3-hydrocinnamoyl-4-hydroxy-5-keto-3-pyrrolin-2-yl)benzoic acid methyl ester Formula: C28H25NO5 MolecularWeight: 455.5018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CC=C3)O)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=CC=C3)O)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H25NO5/c1-34-28(33)22-15-13-21(14-16-22)25-24(23(30)17-12-19-8-4-2-5-9-19)26(31)27(32)29(25)18-20-10-6-3-7-11-20/h2-11,13-16,25,31H,12,17-18H2,1H3