1-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]isonipecotic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6/c1-11-12(2)19(24)26-16-9-14(3-4-15(11)16)25-10-17(21)20-7-5-13(6-8-20)18(22)23/h3-4,9,13H,5-8,10H2,1-2H3,(H,22,23)