methyl 1-[(2S)-3-[3-[(cyclobutylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2S)-3-[3-[(cyclobutylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2S)-3-[3-[(cyclobutylamino)methyl]phenoxy]-2-hydroxy-propyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-[3-[(cyclobutylamino)methyl]phenoxy]-2-hydroxypropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-[3-[(cyclobutylamino)methyl]phenoxy]-2-hydroxypropyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-3-[3-[(cyclobutylamino)methyl]phenoxy]-2-hydroxy-propyl]isonipecotic acid methyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CNC3CCC3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)CNC3CCC3)O

InChI

InChI=1S/C21H32N2O4/c1-26-21(25)17-8-10-23(11-9-17)14-19(24)15-27-20-7-2-4-16(12-20)13-22-18-5-3-6-18/h2,4,7,12,17-19,22,24H,3,5-6,8-11,13-15H2,1H3/t19-/m0/s1