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

Systemtic Name: methyl 4-[4-oxidanyl-5-oxidanylidene-1-phenethyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[4-hydroxy-5-oxo-1-phenethyl-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-phenethyl-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-5-oxo-1-phenethyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-5-keto-1-phenethyl-3-[(E)-3-phenylacryloyl]-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C29H25NO5 MolecularWeight: 467.5125

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC3=CC=CC=C3)O)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC3=CC=CC=C3)O)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H25NO5/c1-35-29(34)23-15-13-22(14-16-23)26-25(24(31)17-12-20-8-4-2-5-9-20)27(32)28(33)30(26)19-18-21-10-6-3-7-11-21/h2-17,26,32H,18-19H2,1H3/b17-12+