1-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]isonipecotic acid Formula: C18H18ClNO6 MolecularWeight: 379.79162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H18ClNO6/c1-9-11-6-13(19)14(21)8-15(11)26-18(25)12(9)7-16(22)20-4-2-10(3-5-20)17(23)24/h6,8,10,21H,2-5,7H2,1H3,(H,23,24)