(2R)-N-(2-benzamidoethyl)-1-(3-bromophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(2-benzamidoethyl)-1-(3-bromophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(2-benzamidoethyl)-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-(2-benzamidoethyl)-1-[(3-bromophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(2-benzamidoethyl)-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-(2-benzamidoethyl)-1-(3-bromobenzoyl)pyrrolidine-2-carboxamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)Br)C(=O)NCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC(=CC=C2)Br)C(=O)NCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrN3O3/c22-17-9-4-8-16(14-17)21(28)25-13-5-10-18(25)20(27)24-12-11-23-19(26)15-6-2-1-3-7-15/h1-4,6-9,14,18H,5,10-13H2,(H,23,26)(H,24,27)/t18-/m1/s1