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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-cyclobutylcarbonyl-3-(4-fluorophenyl)-4-(3-methylphenyl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-1-[cyclobutyl(oxo)methyl]-3-(4-fluorophenyl)-4-[(3-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-4-m-toluoyl-proline Formula: C31H28FNO6 MolecularWeight: 529.555523

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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(=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(=O)O)C6=CC=C(C=C6)F

InChI

InChI=1S/C31H28FNO6/c1-17-4-2-7-21(14-17)29(34)26-25(18-8-11-22(32)12-9-18)28(31(36)37)33(30(35)19-5-3-6-19)27(26)20-10-13-23-24(15-20)39-16-38-23/h2,4,7-15,19,25-28H,3,5-6,16H2,1H3,(H,36,37)