ethyl 3-[(2-bromanyl-5-methoxy-phenyl)methyl]-4-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(2-bromanyl-5-methoxy-phenyl)methyl]-4-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl 1-benzyl-3-[(2-bromo-5-methoxy-phenyl)methyl]-4-oxo-piperidine-3-carboxylate CAS Name: 3-[(2-bromo-5-methoxyphenyl)methyl]-4-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[(2-bromo-5-methoxyphenyl)methyl]-4-oxopiperidine-3-carboxylate Traditional Name: 1-benzyl-3-(2-bromo-5-methoxy-benzyl)-4-keto-nipecotic acid ethyl ester Formula: C23H26BrNO4 MolecularWeight: 460.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CCC1=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CCOC(=O)C1(CN(CCC1=O)CC2=CC=CC=C2)CC3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C23H26BrNO4/c1-3-29-22(27)23(14-18-13-19(28-2)9-10-20(18)24)16-25(12-11-21(23)26)15-17-7-5-4-6-8-17/h4-10,13H,3,11-12,14-16H2,1-2H3