5-chloranyl-3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-5-chloro-1H-indole-2-carboxylic acid Formula: C23H22ClN3O4 MolecularWeight: 439.89148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CC3=C(NC4=C3C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H22ClN3O4/c1-14(28)15-2-5-17(6-3-15)26-8-10-27(11-9-26)21(29)13-19-18-12-16(24)4-7-20(18)25-22(19)23(30)31/h2-7,12,25H,8-11,13H2,1H3,(H,30,31)