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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCCCN3CCN(CC3)CC4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C25H27ClN2O5/c1-17-20-8-7-19(15-22(20)33-25(31)23(17)24(29)30)32-14-4-9-27-10-12-28(13-11-27)16-18-5-2-3-6-21(18)26/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,29,30)