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

Systemtic Name: (2S)-1-[(5-chloranyl-3-methyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl)carbonyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(5-chloro-3-methyl-1-oxo-isochromane-7-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(5-chloro-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(5-chloro-1-keto-3-methyl-isochroman-7-carbonyl)proline Formula: C16H16ClNO5 MolecularWeight: 337.75494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1CC2=C(C=C(C=C2C(=O)O1)C(=O)N3CCC[C@H]3C(=O)O)Cl

InChI

InChI=1S/C16H16ClNO5/c1-8-5-10-11(16(22)23-8)6-9(7-12(10)17)14(19)18-4-2-3-13(18)15(20)21/h6-8,13H,2-5H2,1H3,(H,20,21)/t8?,13-/m0/s1