[5-carbonochloridimidoyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-piperidin-1-ylpropoxy)pyridin-3-yl] 3-phenylpropanoate

Systemtic Name: [5-carbonochloridimidoyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-piperidin-1-ylpropoxy)pyridin-3-yl] 3-phenylpropanoate Openeye Name: [6-(tert-butoxycarbonylamino)-5-(chlorocarbonimidoyl)-4-[3-(1-piperidyl)propoxy]-3-pyridyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [5-carbonochloridimidoyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[3-(1-piperidinyl)propoxy]-3-pyridinyl] ester IUPAC Name: [5-carbonochloridimidoyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(3-piperidin-1-ylpropoxy)pyridin-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [6-(tert-butoxycarbonylamino)-5-(chlorocarbonimidoyl)-4-(3-piperidinopropoxy)-3-pyridyl] ester Formula: C28H37ClN4O5 MolecularWeight: 545.07018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C(=C1C(=N)Cl)OCCCN2CCCCC2)OC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C(=C1C(=N)Cl)OCCCN2CCCCC2)OC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C28H37ClN4O5/c1-28(2,3)38-27(35)32-26-23(25(29)30)24(36-18-10-17-33-15-8-5-9-16-33)21(19-31-26)37-22(34)14-13-20-11-6-4-7-12-20/h4,6-7,11-12,19,30H,5,8-10,13-18H2,1-3H3,(H,31,32,35)