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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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