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

Systemtic Name: methyl 1-(1,3-benzodioxol-5-ylcarbonyl)-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-(1,3-benzodioxole-5-carbonyl)-2-(2-nitrophenyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-[1,3-benzodioxol-5-yl(oxo)methyl]-5-[[(4-methylphenyl)methylamino]-oxomethyl]-2-(2-nitrophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxole-5-carbonyl)-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 5-[(4-methylbenzyl)carbamoyl]-2-(2-nitrophenyl)-1-piperonyloyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C29H27N3O8 MolecularWeight: 545.53998

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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=CC=C5[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C29H27N3O8/c1-17-7-9-18(10-8-17)15-30-27(33)23-14-21(29(35)38-2)26(20-5-3-4-6-22(20)32(36)37)31(23)28(34)19-11-12-24-25(13-19)40-16-39-24/h3-13,21,23,26H,14-16H2,1-2H3,(H,30,33)