3-methyl-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]butanoic acid Openeye Name: 2-[[2-(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(7-hydroxy-2-keto-8-methyl-chromen-4-yl)acetyl]amino]-3-methyl-butyric acid Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(C(C)C)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CC(=O)NC(C(C)C)C(=O)O)O

InChI

InChI=1S/C17H19NO6/c1-8(2)15(17(22)23)18-13(20)6-10-7-14(21)24-16-9(3)12(19)5-4-11(10)16/h4-5,7-8,15,19H,6H2,1-3H3,(H,18,20)(H,22,23)