ethyl 3-[(2-bromanyl-3-methyl-phenyl)methyl]-4-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-bromanyl-3-methyl-phenyl)methyl]-4-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-benzyl-3-[(2-bromo-3-methyl-phenyl)methyl]-4-oxo-piperidine-3-carboxylate CAS Name: 3-[(2-bromo-3-methylphenyl)methyl]-4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(2-bromo-3-methylphenyl)methyl]-4-oxopiperidine-3-carboxylate Traditional Name: 1-benzyl-3-(2-bromo-3-methyl-benzyl)-4-keto-nipecotic acid ethyl ester Formula: C23H26BrNO3 MolecularWeight: 444.36144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CCC1=O)CC2=CC=CC=C2)CC3=CC=CC(=C3Br)C

Isomeric SMILES

CCOC(=O)C1(CN(CCC1=O)CC2=CC=CC=C2)CC3=CC=CC(=C3Br)C

InChI

InChI=1S/C23H26BrNO3/c1-3-28-22(27)23(14-19-11-7-8-17(2)21(19)24)16-25(13-12-20(23)26)15-18-9-5-4-6-10-18/h4-11H,3,12-16H2,1-2H3