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

Systemtic Name: methyl 1-(2-bromophenyl)carbonyl-2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 1-(2-bromobenzoyl)-2-(4-cyanophenyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-[(2-bromophenyl)-oxomethyl]-2-(4-cyanophenyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-bromobenzoyl)-2-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 1-(2-bromobenzoyl)-2-(4-cyanophenyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C29H26BrN3O4 MolecularWeight: 560.43844

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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=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3=CC=CC=C3Br)C4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C29H26BrN3O4/c1-18-7-9-20(10-8-18)17-32-27(34)25-15-23(29(36)37-2)26(21-13-11-19(16-31)12-14-21)33(25)28(35)22-5-3-4-6-24(22)30/h3-14,23,25-26H,15,17H2,1-2H3,(H,32,34)