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

Systemtic Name: 3-[1-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-[4-(4-acetylphenyl)piperazin-1-yl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-[4-(4-acetylphenyl)-1-piperazinyl]-2-hydroxy-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-[4-(4-acetylphenyl)piperazin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-[4-(4-acetylphenyl)piperazino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5/c1-15(28)16-3-6-18(7-4-16)26-9-11-27(12-10-26)22(24(31)32)20-14-25(2)21-13-17(23(29)30)5-8-19(20)21/h3-8,13-14,22H,9-12H2,1-2H3,(H,29,30)(H,31,32)