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

Systemtic Name: 1-[2-[3-(4-chlorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[3-(4-chlorophenyl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[[3-(4-chlorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[3-(4-chlorophenyl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]nipecotic 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)N3CCCC(C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCCC(C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H22ClNO6/c1-14-22(15-4-6-17(25)7-5-15)23(28)19-9-8-18(11-20(19)32-14)31-13-21(27)26-10-2-3-16(12-26)24(29)30/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,29,30)