7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-methyl-2-oxidanylidene-chromene-4-carboxylic acid

Systemtic Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-methyl-2-oxidanylidene-chromene-4-carboxylic acid Openeye Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-methyl-2-oxo-chromene-4-carboxylic acid CAS Name: 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-3-methyl-2-oxo-1-benzopyran-4-carboxylic acid IUPAC Name: 7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-3-methyl-2-oxochromene-4-carboxylic acid Traditional Name: 7-[3-[4-(4-chlorobenzyl)piperazino]propoxy]-2-keto-3-methyl-chromene-4-carboxylic acid Formula: C25H27ClN2O5 MolecularWeight: 470.94528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C(C=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)OC1=O)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C(C=C2)OCCCN3CCN(CC3)CC4=CC=C(C=C4)Cl)OC1=O)C(=O)O

InChI

InChI=1S/C25H27ClN2O5/c1-17-23(24(29)30)21-8-7-20(15-22(21)33-25(17)31)32-14-2-9-27-10-12-28(13-11-27)16-18-3-5-19(26)6-4-18/h3-8,15H,2,9-14,16H2,1H3,(H,29,30)