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

Systemtic Name: ethyl (3S)-1-[1-[(4S)-1-(3-methylbutyl)-7-oxidanylidene-azepan-4-yl]piperidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[1-[(4S)-1-isopentyl-7-oxo-azepan-4-yl]-4-piperidyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-[(4S)-1-(3-methylbutyl)-7-oxo-4-azepanyl]-4-piperidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[1-[(4S)-1-(3-methylbutyl)-7-oxoazepan-4-yl]piperidin-4-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[1-[(4S)-1-isoamyl-7-keto-azepan-4-yl]-4-piperidyl]nipecotic acid ethyl ester Formula: C24H43N3O3 MolecularWeight: 421.61652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CCN(CC2)C3CCC(=O)N(CC3)CCC(C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2CCN(CC2)[C@H]3CCC(=O)N(CC3)CCC(C)C

InChI

InChI=1S/C24H43N3O3/c1-4-30-24(29)20-6-5-13-27(18-20)22-10-15-25(16-11-22)21-7-8-23(28)26(17-12-21)14-9-19(2)3/h19-22H,4-18H2,1-3H3/t20-,21-/m0/s1