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

Systemtic Name: 1-cyclobutylcarbonyl-3-(4-fluorophenyl)-2-methyl-4-(3-methylphenyl)carbonyl-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[cyclobutyl(oxo)methyl]-3-(4-fluorophenyl)-2-methyl-4-[(3-methylphenyl)-oxomethyl]-5-(3-nitrophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)-5-(3-nitrophenyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(cyclobutanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-m-toluoyl-5-(3-nitrophenyl)proline Formula: C31H29FN2O6 MolecularWeight: 544.570163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCC4)(C)C(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4CCC4)(C)C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H29FN2O6/c1-18-6-3-10-22(16-18)28(35)25-26(19-12-14-23(32)15-13-19)31(2,30(37)38)33(29(36)20-7-4-8-20)27(25)21-9-5-11-24(17-21)34(39)40/h3,5-6,9-17,20,25-27H,4,7-8H2,1-2H3,(H,37,38)