5-(1,3-benzodioxol-5-yl)-1-cyclohexylcarbonyl-3-(4-fluorophenyl)-4-(3-methylphenyl)carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-cyclohexylcarbonyl-3-(4-fluorophenyl)-4-(3-methylphenyl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-[cyclohexyl(oxo)methyl]-3-(4-fluorophenyl)-4-[(3-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-m-toluoyl-proline Formula: C33H32FNO6 MolecularWeight: 557.608683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC4=C(C=C3)OCO4)C(=O)C5CCCCC5)C(=O)O)C6=CC=C(C=C6)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC4=C(C=C3)OCO4)C(=O)C5CCCCC5)C(=O)O)C6=CC=C(C=C6)F

InChI

InChI=1S/C33H32FNO6/c1-19-6-5-9-23(16-19)31(36)28-27(20-10-13-24(34)14-11-20)30(33(38)39)35(32(37)21-7-3-2-4-8-21)29(28)22-12-15-25-26(17-22)41-18-40-25/h5-6,9-17,21,27-30H,2-4,7-8,18H2,1H3,(H,38,39)