phenyl 2-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: phenyl 2-[(4-bromanyl-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: phenyl 2-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[(4-bromo-2,6-dimethylanilino)-oxomethyl]-1-pyrrolidinecarboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-bromo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]pyrrolidine-1-carboxylic acid phenyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2CCCN2C(=O)OC3=CC=CC=C3)C)Br

InChI

InChI=1S/C20H21BrN2O3/c1-13-11-15(21)12-14(2)18(13)22-19(24)17-9-6-10-23(17)20(25)26-16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10H2,1-2H3,(H,22,24)