5-[4-[2,5-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-[2,5-bis(chloranyl)phenyl]carbonylpiperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-4-methyl-benzofuran-2-carboxylic acid CAS Name: 5-[4-[(2,5-dichlorophenyl)-oxomethyl]-1-piperazinyl]-4-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-4-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-(2,5-dichlorobenzoyl)piperazino]-4-methyl-coumarilic acid Formula: C21H18Cl2N2O4 MolecularWeight: 433.28462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=C(O2)C(=O)O)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=CC2=C1C=C(O2)C(=O)O)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl2N2O4/c1-12-14-11-19(21(27)28)29-18(14)5-4-17(12)24-6-8-25(9-7-24)20(26)15-10-13(22)2-3-16(15)23/h2-5,10-11H,6-9H2,1H3,(H,27,28)