4-[[2-(6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(6-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(6-chloro-4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(6-chloro-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxypropanoylamino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(6-chloro-2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]methyl]cyclohexanecarboxylic acid Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(C)C(=O)NCC3CCC(CC3)C(=O)O

InChI

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