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

Systemtic Name: [6-chloranyl-3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-2-oxidanylidene-chromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: [6-chloro-3-(3-ethoxy-3-oxo-propyl)-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-(3-ethoxy-3-oxopropyl)-4-methyl-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [6-chloro-3-(3-ethoxy-3-oxopropyl)-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-3-(3-ethoxy-3-keto-propyl)-2-keto-4-methyl-chromen-7-yl] ester Formula: C28H36ClNO8 MolecularWeight: 550.04034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OC(=O)C3CCC(CC3)CNC(=O)OC(C)(C)C)Cl)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OC(=O)C3CCC(CC3)CNC(=O)OC(C)(C)C)Cl)C

InChI

InChI=1S/C28H36ClNO8/c1-6-35-24(31)12-11-19-16(2)20-13-21(29)23(14-22(20)36-26(19)33)37-25(32)18-9-7-17(8-10-18)15-30-27(34)38-28(3,4)5/h13-14,17-18H,6-12,15H2,1-5H3,(H,30,34)