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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)CC4=CC(=CC=C4)Cl

InChI

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