1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[3-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]cyclohexanecarboxylic acid CAS Name: 1-[[3-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]cyclohexane-1-carboxylic acid Traditional Name: 1-[3-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)propanoylamino]cyclohexanecarboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC3(CCCCC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC3(CCCCC3)C(=O)O

InChI

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