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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C25H32ClNO6 MolecularWeight: 477.97768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C3CCC(CC3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C25H32ClNO6/c1-5-6-17-11-22(28)31-20-13-21(19(26)12-18(17)20)32-23(29)16-9-7-15(8-10-16)14-27-24(30)33-25(2,3)4/h11-13,15-16H,5-10,14H2,1-4H3,(H,27,30)