ethyl 1-[1-[1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]piperidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[1-[(4-methylphenyl)methyl]-7-oxidanylidene-azepan-4-yl]piperidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-[7-oxo-1-(p-tolylmethyl)azepan-4-yl]-4-piperidyl]piperidine-3-carboxylate CAS Name: 1-[1-[1-[(4-methylphenyl)methyl]-7-oxo-4-azepanyl]-4-piperidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[1-[(4-methylphenyl)methyl]-7-oxoazepan-4-yl]piperidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[1-[7-keto-1-(4-methylbenzyl)azepan-4-yl]-4-piperidyl]nipecotic acid ethyl ester Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2CCN(CC2)C3CCC(=O)N(CC3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C27H41N3O3/c1-3-33-27(32)23-5-4-15-29(20-23)25-12-16-28(17-13-25)24-10-11-26(31)30(18-14-24)19-22-8-6-21(2)7-9-22/h6-9,23-25H,3-5,10-20H2,1-2H3