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

Systemtic Name: 1-[2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]isonipecotic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6/c1-10-13-3-2-12(20)8-15(13)25-18(24)14(10)9-16(21)19-6-4-11(5-7-19)17(22)23/h2-3,8,11,20H,4-7,9H2,1H3,(H,22,23)