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

Systemtic Name: 2-[1-[[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]methyl]cyclohexyl]acetic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-13-15-6-5-14(23)9-17(15)28-20(27)16(13)10-18(24)22-12-21(11-19(25)26)7-3-2-4-8-21/h5-6,9,23H,2-4,7-8,10-12H2,1H3,(H,22,24)(H,25,26)