[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxylic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31N3O4/c1-16(2)26-17(3)14-21(18(26)4)23(28)30-15-22(27)25-12-10-24(11-13-25)19-6-8-20(29-5)9-7-19/h6-9,14,16H,10-13,15H2,1-5H3