tert-butyl 4-[(2-bromanyl-4-methyl-phenyl)-(phenylmethyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-bromanyl-4-methyl-phenyl)-(phenylmethyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[benzyl-(2-bromo-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[(2-bromo-4-methyl-N-(phenylmethyl)anilino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[benzyl-(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[benzyl-(2-bromo-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H31BrN2O3 MolecularWeight: 487.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N(CC2=CC=CC=C2)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C25H31BrN2O3/c1-18-10-11-22(21(26)16-18)28(17-19-8-6-5-7-9-19)23(29)20-12-14-27(15-13-20)24(30)31-25(2,3)4/h5-11,16,20H,12-15,17H2,1-4H3