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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-cyclobutylcarbonyl-3-(4-fluorophenyl)-2-methyl-4-(3-methylphenyl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-[cyclobutyl(oxo)methyl]-3-(4-fluorophenyl)-2-methyl-4-[(3-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-m-toluoyl-proline Formula: C32H30FNO6 MolecularWeight: 543.582103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC4=C(C=C3)OCO4)C(=O)C5CCC5)(C)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)C5CCC5)(C)C(=O)O)C6=CC=C(C=C6)F

InChI

InChI=1S/C32H30FNO6/c1-18-5-3-8-22(15-18)29(35)26-27(19-9-12-23(33)13-10-19)32(2,31(37)38)34(30(36)20-6-4-7-20)28(26)21-11-14-24-25(16-21)40-17-39-24/h3,5,8-16,20,26-28H,4,6-7,17H2,1-2H3,(H,37,38)