[3-(4-chlorophenyl)-2-oxidanylidene-chromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: [3-(4-chlorophenyl)-2-oxidanylidene-chromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: [3-(4-chlorophenyl)-2-oxo-chromen-7-yl] 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid [3-(4-chlorophenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenyl)-2-oxochromen-7-yl] 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylic acid [3-(4-chlorophenyl)-2-keto-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=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCC1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C=C(C(=O)O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H30ClNO6/c1-28(2,3)36-27(33)30-16-17-4-6-19(7-5-17)25(31)34-22-13-10-20-14-23(26(32)35-24(20)15-22)18-8-11-21(29)12-9-18/h8-15,17,19H,4-7,16H2,1-3H3,(H,30,33)