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

Systemtic Name: 1-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxo-chromen-7-yl]oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]oxyacetyl]isonipecotic acid Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OCC(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H25NO7/c1-15-21(32-14-22(27)26-11-9-17(10-12-26)25(29)30)8-7-19-20(13-23(28)33-24(15)19)16-3-5-18(31-2)6-4-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,29,30)