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

Systemtic Name: 3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]-1H-indole-2-carboxylic acid Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C22H22ClN3O3/c1-14-6-7-15(23)12-19(14)25-8-10-26(11-9-25)20(27)13-17-16-4-2-3-5-18(16)24-21(17)22(28)29/h2-7,12,24H,8-11,13H2,1H3,(H,28,29)