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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4

InChI

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