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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCC(CC3)C(=O)O

InChI

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