5-chloranyl-3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C22H21Cl2N3O3 MolecularWeight: 446.32644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H21Cl2N3O3/c1-13-2-3-15(24)11-19(13)26-6-8-27(9-7-26)20(28)12-17-16-10-14(23)4-5-18(16)25-21(17)22(29)30/h2-5,10-11,25H,6-9,12H2,1H3,(H,29,30)