(3R,4S)-4-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3R,4S)-4-azanyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: (3R,4S)-4-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylic acid CAS Name: (3R,4S)-4-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R,4S)-4-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: (3R,4S)-4-amino-1-homoveratryl-nipecotic acid Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCC(C(C2)C(=O)O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CC[C@@H]([C@@H](C2)C(=O)O)N)OC

InChI

InChI=1S/C16H24N2O4/c1-21-14-4-3-11(9-15(14)22-2)5-7-18-8-6-13(17)12(10-18)16(19)20/h3-4,9,12-13H,5-8,10,17H2,1-2H3,(H,19,20)/t12-,13+/m1/s1