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

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: (6-chloro-2-oxo-4-phenyl-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-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-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-phenyl-chromen-7-yl) ester Formula: C28H30ClNO6 MolecularWeight: 511.9939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=C(C=C3C(=CC(=O)OC3=C2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H30ClNO6/c1-28(2,3)36-27(33)30-16-17-9-11-19(12-10-17)26(32)35-24-15-23-21(13-22(24)29)20(14-25(31)34-23)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12,16H2,1-3H3,(H,30,33)