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

Systemtic Name: 1-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-butyl-2-keto-8-methyl-chromen-7-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(=C2C)OCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO6/c1-3-4-5-16-12-20(25)29-21-14(2)18(7-6-17(16)21)28-13-19(24)23-10-8-15(9-11-23)22(26)27/h6-7,12,15H,3-5,8-11,13H2,1-2H3,(H,26,27)