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

Systemtic Name: 1-[3-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)propanoyl]isonipecotic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H21NO6/c1-11-14-3-2-13(21)10-16(14)26-19(25)15(11)4-5-17(22)20-8-6-12(7-9-20)18(23)24/h2-3,10,12,21H,4-9H2,1H3,(H,23,24)