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

Systemtic Name: 2-[[5-chloranyl-3-methyl-4,8-bis(oxidanyl)-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(5-chloro-4,8-dihydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(5-chloro-4,8-dihydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(5-chloro-4,8-dihydroxy-1-keto-3-methyl-isochroman-7-carbonyl)amino]-3-phenyl-propionic acid Formula: C20H18ClNO7 MolecularWeight: 419.81242

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl)O

Isomeric SMILES

CC1C(C2=C(C=C(C(=C2C(=O)O1)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)Cl)O

InChI

InChI=1S/C20H18ClNO7/c1-9-16(23)14-12(21)8-11(17(24)15(14)20(28)29-9)18(25)22-13(19(26)27)7-10-5-3-2-4-6-10/h2-6,8-9,13,16,23-24H,7H2,1H3,(H,22,25)(H,26,27)