tert-butyl 4-[6-[(3S)-3-[(4-oxidanylcyclohexyl)carbamoyl]piperidin-1-yl]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(3S)-3-[(4-oxidanylcyclohexyl)carbamoyl]piperidin-1-yl]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[6-[(3S)-3-[(4-hydroxycyclohexyl)carbamoyl]-1-piperidyl]-3-pyridyl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[6-[(3S)-3-[[(4-hydroxycyclohexyl)amino]-oxomethyl]-1-piperidinyl]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[(3S)-3-[(4-hydroxycyclohexyl)carbamoyl]piperidin-1-yl]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[6-[(3S)-3-[(4-hydroxycyclohexyl)carbamoyl]piperidino]-3-pyridyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C27H40N4O4 MolecularWeight: 484.6309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CN=C(C=C2)N3CCCC(C3)C(=O)NC4CCC(CC4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)C2=CN=C(C=C2)N3CCC[C@@H](C3)C(=O)NC4CCC(CC4)O

InChI

InChI=1S/C27H40N4O4/c1-27(2,3)35-26(34)30-15-12-19(13-16-30)20-6-11-24(28-17-20)31-14-4-5-21(18-31)25(33)29-22-7-9-23(32)10-8-22/h6,11-12,17,21-23,32H,4-5,7-10,13-16,18H2,1-3H3,(H,29,33)/t21-,22?,23?/m0/s1