ethyl 4-[4-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[(4-benzyl-1-piperidyl)methyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-benzylpiperidin-1-yl)methyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-benzylpiperidino)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3CCC(CC3)CC4=CC=CC=C4

InChI

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