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

Systemtic Name: methyl 4-[4-oxidanyl-5-oxidanylidene-1-(phenylmethyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-benzyl-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1-(phenylmethyl)-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-benzyl-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-benzyl-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C28H23NO5 MolecularWeight: 453.48592

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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)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO5/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/h2-17,25,31H,18H2,1H3/b17-12+