2-[1-[[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoylamino]methyl]cyclohexyl]acetic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC3(CCCCC3)CC(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)NCC3(CCCCC3)CC(=O)O

InChI

InChI=1S/C22H27NO6/c1-14-16-6-5-15(24)11-18(16)29-21(28)17(14)7-8-19(25)23-13-22(12-20(26)27)9-3-2-4-10-22/h5-6,11,24H,2-4,7-10,12-13H2,1H3,(H,23,25)(H,26,27)