methyl 1-(1,3-benzodioxol-5-ylcarbonyl)-2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-ylcarbonyl)-2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 1-(1,3-benzodioxole-5-carbonyl)-2-(4-cyanophenyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-2-(4-cyanophenyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxole-5-carbonyl)-2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-5-[(4-methylbenzyl)carbamoyl]-1-piperonyloyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C30H27N3O6 MolecularWeight: 525.55188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C#N)C(=O)OC

InChI

InChI=1S/C30H27N3O6/c1-18-3-5-20(6-4-18)16-32-28(34)24-14-23(30(36)37-2)27(21-9-7-19(15-31)8-10-21)33(24)29(35)22-11-12-25-26(13-22)39-17-38-25/h3-13,23-24,27H,14,16-17H2,1-2H3,(H,32,34)