3-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-[4-(2,3-dimethylphenyl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)C)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(C3=CN(C4=C3C=CC(=C4)C(=O)O)C)C(=O)O)C

InChI

InChI=1S/C24H27N3O4/c1-15-5-4-6-20(16(15)2)26-9-11-27(12-10-26)22(24(30)31)19-14-25(3)21-13-17(23(28)29)7-8-18(19)21/h4-8,13-14,22H,9-12H2,1-3H3,(H,28,29)(H,30,31)