1-[[2,4-bis(fluoranyl)phenyl]-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-difluorophenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-difluorophenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-difluorophenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-difluorophenyl)-(2-naphthyl)methyl]nipecotic acid Formula: C23H21F2NO2 MolecularWeight: 381.415146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=C(C=C(C=C4)F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC3=CC=CC=C3C=C2)C4=C(C=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C23H21F2NO2/c24-19-9-10-20(21(25)13-19)22(26-11-3-6-18(14-26)23(27)28)17-8-7-15-4-1-2-5-16(15)12-17/h1-2,4-5,7-10,12-13,18,22H,3,6,11,14H2,(H,27,28)