2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-4-methyl-valeric acid Formula: C17H20ClNO6 MolecularWeight: 369.7968

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC(C)C)C(=O)O)Cl

Isomeric SMILES

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC(C)C)C(=O)O)Cl

InChI

InChI=1S/C17H20ClNO6/c1-7(2)4-12(16(22)23)19-15(21)10-6-11(18)9-5-8(3)25-17(24)13(9)14(10)20/h6-8,12,20H,4-5H2,1-3H3,(H,19,21)(H,22,23)