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

Systemtic Name: 3-methyl-2-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]pentanoic acid Openeye Name: 2-[[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-methyl-valeric acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CC1=C(C2=C(C=C(C=C2)O)OC1=O)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CC1=C(C2=C(C=C(C=C2)O)OC1=O)C

InChI

InChI=1S/C18H21NO6/c1-4-9(2)16(17(22)23)19-15(21)8-13-10(3)12-6-5-11(20)7-14(12)25-18(13)24/h5-7,9,16,20H,4,8H2,1-3H3,(H,19,21)(H,22,23)