ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(4-fluorophenyl)carbonyl-4-methyl-2-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(4-fluorophenyl)carbonyl-4-methyl-2-phenyl-pyrrolidine-3-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(4-fluorobenzoyl)-4-methyl-2-phenyl-pyrrolidine-3-carboxylate CAS Name: 5-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]-1-[(4-fluorophenyl)-oxomethyl]-4-methyl-2-phenyl-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylmethylcarbamoyl)-1-(4-fluorobenzoyl)-4-methyl-2-phenylpyrrolidine-3-carboxylate Traditional Name: 1-(4-fluorobenzoyl)-4-methyl-2-phenyl-5-(piperonylcarbamoyl)pyrrolidine-3-carboxylic acid ethyl ester Formula: C30H29FN2O6 MolecularWeight: 532.559463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(N(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)C1C(C(N(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C30H29FN2O6/c1-3-37-30(36)25-18(2)26(28(34)32-16-19-9-14-23-24(15-19)39-17-38-23)33(27(25)20-7-5-4-6-8-20)29(35)21-10-12-22(31)13-11-21/h4-15,18,25-27H,3,16-17H2,1-2H3,(H,32,34)