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

Systemtic Name: 1-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonyl]-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)-4-hydroxy-proline Formula: C16H16ClNO7 MolecularWeight: 369.75374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N3CC(CC3C(=O)O)O)Cl

Isomeric SMILES

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N3CC(CC3C(=O)O)O)Cl

InChI

InChI=1S/C16H16ClNO7/c1-6-2-8-10(17)4-9(13(20)12(8)16(24)25-6)14(21)18-5-7(19)3-11(18)15(22)23/h4,6-7,11,19-20H,2-3,5H2,1H3,(H,22,23)