ethyl (3S)-1-(3-methylbenzo[g][1]benzofuran-2-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(3-methylbenzo[g][1]benzofuran-2-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(3-methylbenzo[g]benzofuran-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(3-methyl-2-benzo[g]benzofuranyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(3-methylbenzo[g][1]benzofuran-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(3-methylbenzo[g]benzofuran-2-carbonyl)nipecotic acid ethyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(O2)C4=CC=CC=C4C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C3=C(O2)C4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H23NO4/c1-3-26-22(25)16-8-6-12-23(13-16)21(24)19-14(2)17-11-10-15-7-4-5-9-18(15)20(17)27-19/h4-5,7,9-11,16H,3,6,8,12-13H2,1-2H3/t16-/m0/s1