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

Systemtic Name: 3-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[3-methyl-4-(p-tolyl)piperazin-1-yl]-2-oxo-ethyl]-1H-indole-2-carboxylic acid CAS Name: 3-[2-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-2-oxoethyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-[3-methyl-4-(p-tolyl)piperazino]ethyl]-1H-indole-2-carboxylic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)CC3=C(NC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C23H25N3O3/c1-15-7-9-17(10-8-15)26-12-11-25(14-16(26)2)21(27)13-19-18-5-3-4-6-20(18)24-22(19)23(28)29/h3-10,16,24H,11-14H2,1-2H3,(H,28,29)