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

Systemtic Name: 1-[2-[3-(3-methoxyphenyl)-3-(2-methylphenyl)propoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[3-(3-methoxyphenyl)-3-(o-tolyl)propoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[3-(3-methoxyphenyl)-3-(2-methylphenyl)propoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(3-methoxyphenyl)-3-(2-methylphenyl)propoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[3-(3-methoxyphenyl)-3-(o-tolyl)propoxy]ethyl]nipecotic acid Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO4/c1-19-7-3-4-11-23(19)24(20-8-5-10-22(17-20)29-2)12-15-30-16-14-26-13-6-9-21(18-26)25(27)28/h3-5,7-8,10-11,17,21,24H,6,9,12-16,18H2,1-2H3,(H,27,28)