1-[2-[(E)-3,3-bis(2-methylphenyl)prop-1-enoxy]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(E)-3,3-bis(2-methylphenyl)prop-1-enoxy]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(E)-3,3-bis(o-tolyl)prop-1-enoxy]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(E)-3,3-bis(2-methylphenyl)prop-1-enoxy]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(E)-3,3-bis(2-methylphenyl)prop-1-enoxy]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(E)-3,3-bis(o-tolyl)prop-1-enoxy]ethyl]nipecotic acid Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C=COCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1C(/C=C/OCCN2CCCC(C2)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C25H31NO3/c1-19-8-3-5-11-22(19)24(23-12-6-4-9-20(23)2)13-16-29-17-15-26-14-7-10-21(18-26)25(27)28/h3-6,8-9,11-13,16,21,24H,7,10,14-15,17-18H2,1-2H3,(H,27,28)/b16-13+