4-[[2-(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[2-(6-chloranyl-3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[2-(6-chloro-3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[2-[(6-chloro-3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[2-(6-chloro-2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]methyl]cyclohexanecarboxylate Formula: C21H23ClNO6- MolecularWeight: 420.86342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NCC3CCC(CC3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NCC3CCC(CC3)C(=O)[O-])C

InChI

InChI=1S/C21H24ClNO6/c1-11-12(2)21(27)29-17-8-18(16(22)7-15(11)17)28-10-19(24)23-9-13-3-5-14(6-4-13)20(25)26/h7-8,13-14H,3-6,9-10H2,1-2H3,(H,23,24)(H,25,26)/p-1