dimethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-1,3-dicarboxylate

Systemtic Name: dimethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-1,3-dicarboxylate Openeye Name: dimethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-1,3-dicarboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[[(4-fluorophenyl)methylamino]-oxomethyl]-4-phenylpyrrolidine-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorophenyl)methylcarbamoyl]-4-phenylpyrrolidine-1,3-dicarboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-fluorobenzyl)carbamoyl]-4-phenyl-pyrrolidine-1,3-dicarboxylic acid dimethyl ester Formula: C29H27FN2O7 MolecularWeight: 534.532283

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC3=C(C=C2)OCO3)C(=O)OC)C(=O)NCC4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C29H27FN2O7/c1-36-28(34)24-23(18-6-4-3-5-7-18)26(27(33)31-15-17-8-11-20(30)12-9-17)32(29(35)37-2)25(24)19-10-13-21-22(14-19)39-16-38-21/h3-14,23-26H,15-16H2,1-2H3,(H,31,33)