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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(2-bromophenyl)carbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(2-bromobenzoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[(2-bromophenyl)-oxomethyl]-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-1-(2-bromobenzoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-(2-bromobenzoyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C29H27BrN2O6 MolecularWeight: 579.43848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CC=C3Br)C4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CC=C3Br)C4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C29H27BrN2O6/c1-17-7-9-18(10-8-17)15-31-27(33)23-14-21(29(35)36-2)26(19-11-12-24-25(13-19)38-16-37-24)32(23)28(34)20-5-3-4-6-22(20)30/h3-13,21,23,26H,14-16H2,1-2H3,(H,31,33)