[6-[3-(cyclohexylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]pyridin-3-yl] ethanoate

Systemtic Name: [6-[3-(cyclohexylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]pyridin-3-yl] ethanoate Openeye Name: [6-[2-(tert-butoxycarbonylamino)-3-(cyclohexylamino)-3-oxo-propyl]-3-pyridyl] acetate CAS Name: acetic acid [6-[3-(cyclohexylamino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-3-pyridinyl] ester IUPAC Name: [6-[3-(cyclohexylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridin-3-yl] acetate Traditional Name: acetic acid [6-[2-(tert-butoxycarbonylamino)-3-(cyclohexylamino)-3-keto-propyl]-3-pyridyl] ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CN=C(C=C1)CC(C(=O)NC2CCCCC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CN=C(C=C1)CC(C(=O)NC2CCCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O5/c1-14(25)28-17-11-10-16(22-13-17)12-18(24-20(27)29-21(2,3)4)19(26)23-15-8-6-5-7-9-15/h10-11,13,15,18H,5-9,12H2,1-4H3,(H,23,26)(H,24,27)