[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: [6-chloro-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-7-yl] 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid [6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-chloro-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylic acid [6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-7-yl] ester Formula: C26H32ClNO8 MolecularWeight: 521.98718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OC(C)(C)C)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OC(C)(C)C)CC(=O)OC

InChI

InChI=1S/C26H32ClNO8/c1-14-17-10-19(27)21(12-20(17)34-24(31)18(14)11-22(29)33-5)35-23(30)16-8-6-15(7-9-16)13-28-25(32)36-26(2,3)4/h10,12,15-16H,6-9,11,13H2,1-5H3,(H,28,32)