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

Systemtic Name: 4-[[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NCC3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)NCC3CCC(CC3)C(=O)O

InChI

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