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

Systemtic Name: 1-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]isonipecotic acid Formula: C19H20ClNO6 MolecularWeight: 393.8182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO6/c1-10-12-7-14(20)16(26-2)9-15(12)27-19(25)13(10)8-17(22)21-5-3-11(4-6-21)18(23)24/h7,9,11H,3-6,8H2,1-2H3,(H,23,24)