(2-oxidanylidenechromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Openeye Name: (2-oxochromen-7-yl) 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]cyclohexanecarboxylic acid (2-ketochromen-7-yl) ester Formula: C22H27NO6 MolecularWeight: 401.45288

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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=CC(=O)O3

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-22(2,3)29-21(26)23-13-14-4-6-16(7-5-14)20(25)27-17-10-8-15-9-11-19(24)28-18(15)12-17/h8-12,14,16H,4-7,13H2,1-3H3,(H,23,26)