(phenylmethyl) 2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-bromanyl-3-methyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(4-bromo-3-methyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[(4-bromo-3-methylanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-bromo-3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-bromo-3-methyl-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O3/c1-14-12-16(9-10-17(14)21)22-19(24)18-8-5-11-23(18)20(25)26-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,18H,5,8,11,13H2,1H3,(H,22,24)