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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylcarbamoyl]-1-pyridin-3-ylcarbonyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-5-(p-tolylmethylcarbamoyl)-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-1-[oxo(3-pyridinyl)methyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-5-[(4-methylphenyl)methylcarbamoyl]-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(4-methylbenzyl)carbamoyl]-1-nicotinoyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CN=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CN=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C28H27N3O6/c1-17-5-7-18(8-6-17)14-30-26(32)22-13-21(28(34)35-2)25(19-9-10-23-24(12-19)37-16-36-23)31(22)27(33)20-4-3-11-29-15-20/h3-12,15,21-22,25H,13-14,16H2,1-2H3,(H,30,32)