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

Systemtic Name: (phenylmethyl) 2-[(4-bromanyl-2-methyl-phenyl)carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[(4-bromo-2-methyl-phenyl)carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-[(4-bromo-2-methylanilino)-oxomethyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-bromo-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)carbamoyl]-4-hydroxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H21BrN2O4/c1-13-9-15(21)7-8-17(13)22-19(25)18-10-16(24)11-23(18)20(26)27-12-14-5-3-2-4-6-14/h2-9,16,18,24H,10-12H2,1H3,(H,22,25)