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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1CC2=C(C=C(C=C2C(=O)O1)C(=O)N3CC(C[C@H]3C(=O)O)O)Cl

InChI

InChI=1S/C16H16ClNO6/c1-7-2-10-11(16(23)24-7)3-8(4-12(10)17)14(20)18-6-9(19)5-13(18)15(21)22/h3-4,7,9,13,19H,2,5-6H2,1H3,(H,21,22)/t7?,9?,13-/m0/s1