methyl 2-(1,3-benzodioxol-5-yl)-1-cyclopropylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-1-cyclopropylcarbonyl-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[cyclopropyl(oxo)methyl]-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenylpyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C31H29FN2O6 MolecularWeight: 544.570163

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4CC4)C(=O)NCC5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC3=C(C=C2)OCO3)C(=O)C4CC4)C(=O)NCC5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C31H29FN2O6/c1-38-31(37)26-25(19-5-3-2-4-6-19)28(29(35)33-16-18-7-12-22(32)13-8-18)34(30(36)20-9-10-20)27(26)21-11-14-23-24(15-21)40-17-39-23/h2-8,11-15,20,25-28H,9-10,16-17H2,1H3,(H,33,35)