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

Systemtic Name: 4-methyl-2-[2-(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)ethanoylamino]pentanoic acid Openeye Name: 2-[[2-(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)acetyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)-1-oxoethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(7-hydroxy-8-methyl-2-oxochromen-4-yl)acetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(7-hydroxy-2-keto-8-methyl-chromen-4-yl)acetyl]amino]-4-methyl-valeric acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO6/c1-9(2)6-13(18(23)24)19-15(21)7-11-8-16(22)25-17-10(3)14(20)5-4-12(11)17/h4-5,8-9,13,20H,6-7H2,1-3H3,(H,19,21)(H,23,24)