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

Systemtic Name: methyl 1-(3-bromophenyl)carbonyl-2,4-diphenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate Openeye Name: methyl 5-(allylcarbamoyl)-1-(3-bromobenzoyl)-2,4-diphenyl-pyrrolidine-3-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-5-[oxo-(prop-2-enylamino)methyl]-2,4-diphenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-bromobenzoyl)-2,4-diphenyl-5-(prop-2-enylcarbamoyl)pyrrolidine-3-carboxylate Traditional Name: 5-(allylcarbamoyl)-1-(3-bromobenzoyl)-2,4-diphenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C29H27BrN2O4 MolecularWeight: 547.43968

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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)NCC=C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H27BrN2O4/c1-3-17-31-27(33)26-23(19-11-6-4-7-12-19)24(29(35)36-2)25(20-13-8-5-9-14-20)32(26)28(34)21-15-10-16-22(30)18-21/h3-16,18,23-26H,1,17H2,2H3,(H,31,33)