1-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(8-methyl-2-oxo-4-propyl-chromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-keto-8-methyl-4-propyl-chromen-7-yl)oxyacetyl]isonipecotic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H25NO6/c1-3-4-15-11-19(24)28-20-13(2)17(6-5-16(15)20)27-12-18(23)22-9-7-14(8-10-22)21(25)26/h5-6,11,14H,3-4,7-10,12H2,1-2H3,(H,25,26)