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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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