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

Systemtic Name: 3-[1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-[4-(3-chlorobenzyl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C23H24ClN3O4 MolecularWeight: 441.90736

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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)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H24ClN3O4/c1-25-14-19(18-12-16(22(28)29)5-6-20(18)25)21(23(30)31)27-9-7-26(8-10-27)13-15-3-2-4-17(24)11-15/h2-6,11-12,14,21H,7-10,13H2,1H3,(H,28,29)(H,30,31)