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

Systemtic Name: ethyl 1-[1-[(4-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-[(4-methoxyphenyl)methyl]-7-oxo-azepan-4-yl]piperidine-3-carboxylate CAS Name: 1-[1-[(4-methoxyphenyl)methyl]-7-oxo-4-azepanyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(4-methoxyphenyl)methyl]-7-oxoazepan-4-yl]piperidine-3-carboxylate Traditional Name: 1-(7-keto-1-p-anisyl-azepan-4-yl)nipecotic acid ethyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2CCC(=O)N(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H32N2O4/c1-3-28-22(26)18-5-4-13-23(16-18)19-8-11-21(25)24(14-12-19)15-17-6-9-20(27-2)10-7-17/h6-7,9-10,18-19H,3-5,8,11-16H2,1-2H3