1-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-butyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-butyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-butyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-butyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]isonipecotic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6/c1-3-4-5-16-12-20(25)29-18-11-14(2)10-17(21(16)18)28-13-19(24)23-8-6-15(7-9-23)22(26)27/h10-12,15H,3-9,13H2,1-2H3,(H,26,27)