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

Systemtic Name: methyl 4-[1-(3-imidazol-1-ylpropyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[4-hydroxy-1-(3-imidazol-1-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-1-[3-(1-imidazolyl)propyl]-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-1-(3-imidazol-1-ylpropyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-1-(3-imidazol-1-ylpropyl)-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O5/c1-35-27(34)21-11-9-20(10-12-21)24-23(22(31)13-8-19-6-3-2-4-7-19)25(32)26(33)30(24)16-5-15-29-17-14-28-18-29/h2-4,6-14,17-18,24,32H,5,15-16H2,1H3/b13-8+