4-[[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(7-hydroxy-2-keto-8-methyl-chromen-4-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NCC3CCC(CC3)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NCC3CCC(CC3)C(=O)O)O

InChI

InChI=1S/C20H23NO6/c1-11-16(22)7-6-15-14(9-18(24)27-19(11)15)8-17(23)21-10-12-2-4-13(5-3-12)20(25)26/h6-7,9,12-13,22H,2-5,8,10H2,1H3,(H,21,23)(H,25,26)