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

Systemtic Name: methyl 1-[(2S)-3-[3-[(tert-butylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2S)-3-[3-[(tert-butylamino)methyl]phenoxy]-2-hydroxy-propyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-[3-[(tert-butylamino)methyl]phenoxy]-2-hydroxypropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-3-[3-[(tert-butylamino)methyl]phenoxy]-2-hydroxypropyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-3-[3-[(tert-butylamino)methyl]phenoxy]-2-hydroxy-propyl]isonipecotic acid methyl ester Formula: C21H34N2O4 MolecularWeight: 378.50566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=CC(=CC=C1)OCC(CN2CCC(CC2)C(=O)OC)O

Isomeric SMILES

CC(C)(C)NCC1=CC(=CC=C1)OC[C@H](CN2CCC(CC2)C(=O)OC)O

InChI

InChI=1S/C21H34N2O4/c1-21(2,3)22-13-16-6-5-7-19(12-16)27-15-18(24)14-23-10-8-17(9-11-23)20(25)26-4/h5-7,12,17-18,22,24H,8-11,13-15H2,1-4H3/t18-/m0/s1