[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(m-tolyl)pyrrole-3-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O3/c1-19-8-7-11-23(16-19)29-20(2)17-24(21(29)3)26(31)32-18-25(30)28-14-12-27(13-15-28)22-9-5-4-6-10-22/h4-11,16-17H,12-15,18H2,1-3H3