4-[[2-(5,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(5,7-dimethoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(5,7-dimethoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(5,7-dimethoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(2-keto-5,7-dimethoxy-4-methyl-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7/c1-12-16(10-19(24)23-11-13-4-6-14(7-5-13)21(25)26)22(27)30-18-9-15(28-2)8-17(29-3)20(12)18/h8-9,13-14H,4-7,10-11H2,1-3H3,(H,23,24)(H,25,26)