ethyl (3S)-1-[(3-ethanoylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3-ethanoylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-acetylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(3-acetylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-acetylphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(3-acetylbenzyl)-3-m-anisyl-nipecotic acid ethyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CC=CC(=C2)C(=O)C)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)CC2=CC=CC(=C2)C(=O)C)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C25H31NO4/c1-4-30-24(28)25(16-20-8-6-11-23(15-20)29-3)12-7-13-26(18-25)17-21-9-5-10-22(14-21)19(2)27/h5-6,8-11,14-15H,4,7,12-13,16-18H2,1-3H3/t25-/m0/s1