[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 1-phenylcyclopentanecarboxylate CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate Traditional Name: 1-phenylcyclopentanecarboxylic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O3/c35-29(24-37-30(36)31(17-7-8-18-31)26-11-5-2-6-12-26)32-27-13-15-28(16-14-27)34-21-19-33(20-22-34)23-25-9-3-1-4-10-25/h1-6,9-16H,7-8,17-24H2,(H,32,35)