ethyl 4-[[3-[(2R)-3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-[(2R)-3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-[(2R)-3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]methylamino]piperidine-1-carboxylate CAS Name: 4-[[3-[(2R)-3-(1-azepanyl)-2-hydroxypropoxy]phenyl]methylamino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(2R)-3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methylamino]piperidine-1-carboxylate Traditional Name: 4-[[3-[(2R)-3-(azepan-1-yl)-2-hydroxy-propoxy]benzyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C24H39N3O4 MolecularWeight: 433.58416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NCC2=CC(=CC=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NCC2=CC(=CC=C2)OC[C@@H](CN3CCCCCC3)O

InChI

InChI=1S/C24H39N3O4/c1-2-30-24(29)27-14-10-21(11-15-27)25-17-20-8-7-9-23(16-20)31-19-22(28)18-26-12-5-3-4-6-13-26/h7-9,16,21-22,25,28H,2-6,10-15,17-19H2,1H3/t22-/m1/s1