(3R)-1-[2-[3-(2-methylphenyl)-3-phenyl-propoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[2-[3-(2-methylphenyl)-3-phenyl-propoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[2-[3-(o-tolyl)-3-phenyl-propoxy]ethyl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[2-[3-(2-methylphenyl)-3-phenylpropoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[2-[3-(2-methylphenyl)-3-phenylpropoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[2-[3-(o-tolyl)-3-phenyl-propoxy]ethyl]nipecotic acid Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCOCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(CCOCCN2CCC[C@H](C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H31NO3/c1-19-8-5-6-12-22(19)23(20-9-3-2-4-10-20)13-16-28-17-15-25-14-7-11-21(18-25)24(26)27/h2-6,8-10,12,21,23H,7,11,13-18H2,1H3,(H,26,27)/t21-,23?/m1/s1