ethyl 2-[1-[[(3S)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbonylamino]cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[1-[[(3S)-6-oxidanylidene-1-(pyridin-2-ylmethyl)piperidin-3-yl]carbonylamino]cyclohexyl]ethanoate Openeye Name: ethyl 2-[1-[[(3S)-6-oxo-1-(2-pyridylmethyl)piperidine-3-carbonyl]amino]cyclohexyl]acetate CAS Name: 2-[1-[[oxo-[(3S)-6-oxo-1-(2-pyridinylmethyl)-3-piperidinyl]methyl]amino]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[(3S)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]cyclohexyl]acetate Traditional Name: 2-[1-[[(3S)-6-keto-1-(2-pyridylmethyl)nipecotoyl]amino]cyclohexyl]acetic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1)NC(=O)C2CCC(=O)N(C2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)CC1(CCCCC1)NC(=O)[C@H]2CCC(=O)N(C2)CC3=CC=CC=N3

InChI

InChI=1S/C22H31N3O4/c1-2-29-20(27)14-22(11-5-3-6-12-22)24-21(28)17-9-10-19(26)25(15-17)16-18-8-4-7-13-23-18/h4,7-8,13,17H,2-3,5-6,9-12,14-16H2,1H3,(H,24,28)/t17-/m0/s1