3-[1-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid

Systemtic Name: 3-[1-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[1-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[1-[4-(3-chlorophenyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-[4-(3-chlorophenyl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-24-13-18(17-11-14(21(27)28)5-6-19(17)24)20(22(29)30)26-9-7-25(8-10-26)16-4-2-3-15(23)12-16/h2-6,11-13,20H,7-10H2,1H3,(H,27,28)(H,29,30)