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

Systemtic Name: methyl 1-(3-bromophenyl)carbonyl-5-(methylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate Openeye Name: methyl 1-(3-bromobenzoyl)-5-(methylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-(methylcarbamoyl)-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-bromobenzoyl)-5-(methylcarbamoyl)-2,4-diphenylpyrrolidine-3-carboxylate Traditional Name: 1-(3-bromobenzoyl)-5-(methylcarbamoyl)-2,4-diphenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C27H25BrN2O4 MolecularWeight: 521.4024

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(N1C(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1C(C(C(N1C(=O)C2=CC(=CC=C2)Br)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H25BrN2O4/c1-29-25(31)24-21(17-10-5-3-6-11-17)22(27(33)34-2)23(18-12-7-4-8-13-18)30(24)26(32)19-14-9-15-20(28)16-19/h3-16,21-24H,1-2H3,(H,29,31)