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

Systemtic Name: 1-[(5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-(5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-(5-chloro-8-hydroxy-1-keto-3-methyl-isochroman-7-carbonyl)proline Formula: C16H16ClNO6 MolecularWeight: 353.75434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N3CCCC3C(=O)O)Cl

Isomeric SMILES

CC1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N3CCCC3C(=O)O)Cl

InChI

InChI=1S/C16H16ClNO6/c1-7-5-8-10(17)6-9(13(19)12(8)16(23)24-7)14(20)18-4-2-3-11(18)15(21)22/h6-7,11,19H,2-5H2,1H3,(H,21,22)