ethyl 1-[4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[(4-benzylpiperazin-1-yl)methyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-benzylpiperazin-1-yl)methyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[(4-benzylpiperazino)methyl]benzoyl]nipecotic acid ethyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-2-33-27(32)25-9-6-14-30(21-25)26(31)24-12-10-23(11-13-24)20-29-17-15-28(16-18-29)19-22-7-4-3-5-8-22/h3-5,7-8,10-13,25H,2,6,9,14-21H2,1H3