ethyl 4-[(3R,4R)-4-(azepan-1-yl)-3-oxidanyl-piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3R,4R)-4-(azepan-1-yl)-3-oxidanyl-piperidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3R,4R)-4-(azepan-1-yl)-3-hydroxy-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[(3R,4R)-4-(1-azepanyl)-3-hydroxy-1-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R,4R)-4-(azepan-1-yl)-3-hydroxypiperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3R,4R)-4-(azepan-1-yl)-3-hydroxy-piperidino]piperidine-1-carboxylic acid ethyl ester Formula: C19H35N3O3 MolecularWeight: 353.4995

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCC(C(C2)O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC[C@H]([C@@H](C2)O)N3CCCCCC3

InChI

InChI=1S/C19H35N3O3/c1-2-25-19(24)21-12-7-16(8-13-21)22-14-9-17(18(23)15-22)20-10-5-3-4-6-11-20/h16-18,23H,2-15H2,1H3/t17-,18-/m1/s1