4-[[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]methyl]cyclohexanecarboxylate Formula: C21H24NO6- MolecularWeight: 386.41836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C21H25NO6/c1-12-16-7-6-15(23)10-18(16)28-21(27)17(12)8-9-19(24)22-11-13-2-4-14(5-3-13)20(25)26/h6-7,10,13-14,23H,2-5,8-9,11H2,1H3,(H,22,24)(H,25,26)/p-1