methyl 1-(2-azanyl-3-oxidanyl-butyl)-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(2-azanyl-3-oxidanyl-butyl)-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: methyl 1-(2-amino-3-hydroxy-butyl)-4-benzyl-piperidine-4-carboxylate CAS Name: 1-(2-amino-3-hydroxybutyl)-4-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-3-hydroxybutyl)-4-benzylpiperidine-4-carboxylate Traditional Name: 1-(2-amino-3-hydroxy-butyl)-4-benzyl-isonipecotic acid methyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CN1CCC(CC1)(CC2=CC=CC=C2)C(=O)OC)N)O

Isomeric SMILES

CC(C(CN1CCC(CC1)(CC2=CC=CC=C2)C(=O)OC)N)O

InChI

InChI=1S/C18H28N2O3/c1-14(21)16(19)13-20-10-8-18(9-11-20,17(22)23-2)12-15-6-4-3-5-7-15/h3-7,14,16,21H,8-13,19H2,1-2H3