ethyl 2-methyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-benzylpiperazin-1-yl)-2-oxo-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 5-[1,2-dioxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-benzylpiperazin-1-yl)-2-oxoacetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-benzylpiperazino)-2-keto-acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H29N3O4/c1-3-34-27(33)22-19(2)28-24(23(22)21-12-8-5-9-13-21)25(31)26(32)30-16-14-29(15-17-30)18-20-10-6-4-7-11-20/h4-13,28H,3,14-18H2,1-2H3