methyl 1-(3-bromophenyl)carbonyl-5-(phenethylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-(3-bromophenyl)carbonyl-5-(phenethylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(3-bromobenzoyl)-5-(phenethylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-[oxo-(phenethylamino)methyl]-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-bromobenzoyl)-5-(phenethylcarbamoyl)-2,4-diphenylpyrrolidine-3-carboxylate Traditional Name: 1-(3-bromobenzoyl)-5-(phenethylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C34H31BrN2O4 MolecularWeight: 611.52494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(N(C1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br)C(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(C(N(C1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br)C(=O)NCCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H31BrN2O4/c1-41-34(40)29-28(24-14-7-3-8-15-24)31(32(38)36-21-20-23-12-5-2-6-13-23)37(30(29)25-16-9-4-10-17-25)33(39)26-18-11-19-27(35)22-26/h2-19,22,28-31H,20-21H2,1H3,(H,36,38)