ethyl 3-[(4-fluorophenyl)methyl]-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(4-fluorophenyl)methyl]-1-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(4-fluorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxylate CAS Name: 3-[(4-fluorophenyl)methyl]-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorophenyl)methyl]-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-3-carboxylate Traditional Name: 3-(4-fluorobenzyl)-1-[2-keto-2-(4-phenylpiperazino)ethyl]nipecotic acid ethyl ester Formula: C27H34FN3O3 MolecularWeight: 467.575563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H34FN3O3/c1-2-34-26(33)27(19-22-9-11-23(28)12-10-22)13-6-14-29(21-27)20-25(32)31-17-15-30(16-18-31)24-7-4-3-5-8-24/h3-5,7-12H,2,6,13-21H2,1H3