[2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-oxo-2-[4-(1-phenylethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-2-[4-(1-phenylethyl)piperazino]ethyl] ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-20(21-7-3-2-4-8-21)26-15-17-28(18-16-26)24(29)19-31-25(30)22-9-11-23(12-10-22)27-13-5-6-14-27/h2-14,20H,15-19H2,1H3