2-ethyl-4-phenyl-1-(3-propan-2-yloxyphenyl)carbonyl-2-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid

Systemtic Name: 2-ethyl-4-phenyl-1-(3-propan-2-yloxyphenyl)carbonyl-2-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Openeye Name: 2-ethyl-1-(3-isopropoxybenzoyl)-4-phenyl-2-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid CAS Name: 2-ethyl-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-phenyl-2-(3-pyrrolidinyl)-3-[4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 2-ethyl-4-phenyl-1-(3-propan-2-yloxybenzoyl)-2-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid Traditional Name: 2-ethyl-1-(3-isopropoxybenzoyl)-4-phenyl-2-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]isonipecotic acid Formula: C35H39F3N2O4 MolecularWeight: 608.69037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1C(=O)C2=CC(=CC=C2)OC(C)C)(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)C(F)(F)F)C5CCNC5

Isomeric SMILES

CCC1(C(C(CCN1C(=O)C2=CC(=CC=C2)OC(C)C)(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)C(F)(F)F)C5CCNC5

InChI

InChI=1S/C35H39F3N2O4/c1-4-34(28-17-19-39-22-28)30(24-13-15-27(16-14-24)35(36,37)38)33(32(42)43,26-10-6-5-7-11-26)18-20-40(34)31(41)25-9-8-12-29(21-25)44-23(2)3/h5-16,21,23,28,30,39H,4,17-20,22H2,1-3H3,(H,42,43)