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

Systemtic Name: 1-[2-[3-(4-chlorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-(4-chlorophenyl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[3-(4-chlorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[3-(4-chlorophenyl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]isonipecotic acid Formula: C24H22ClNO6 MolecularWeight: 455.88758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCC(CC3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCC(CC3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClNO6/c1-14-22(15-2-4-17(25)5-3-15)23(28)19-7-6-18(12-20(19)32-14)31-13-21(27)26-10-8-16(9-11-26)24(29)30/h2-7,12,16H,8-11,13H2,1H3,(H,29,30)