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

Systemtic Name: 3-[1-[4-(2-cyanoethyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-5-carboxylic acid Openeye Name: 3-[1-[4-(2-cyanoethyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-5-carboxylic acid CAS Name: 3-[1-[4-(2-cyanoethyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-5-indolecarboxylic acid IUPAC Name: 3-[1-[4-(2-cyanoethyl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-5-carboxylic acid Traditional Name: 3-[1-[4-(2-cyanoethyl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-5-carboxylic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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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)CCC#N

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CCC#N

InChI

InChI=1S/C19H22N4O4/c1-21-12-15(14-11-13(18(24)25)3-4-16(14)21)17(19(26)27)23-9-7-22(8-10-23)6-2-5-20/h3-4,11-12,17H,2,6-10H2,1H3,(H,24,25)(H,26,27)