5-[[4-(2-oxidanylethanoyl)piperazin-1-yl]methyl]-2-(2-oxidanylidene-1H-quinolin-3-yl)indole-1-carboxylic acid

Systemtic Name: 5-[[4-(2-oxidanylethanoyl)piperazin-1-yl]methyl]-2-(2-oxidanylidene-1H-quinolin-3-yl)indole-1-carboxylic acid Openeye Name: 5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid CAS Name: 5-[[4-(2-hydroxy-1-oxoethyl)-1-piperazinyl]methyl]-2-(2-oxo-1H-quinolin-3-yl)-1-indolecarboxylic acid IUPAC Name: 5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylic acid Traditional Name: 5-[(4-glycoloylpiperazino)methyl]-2-(2-keto-1H-quinolin-3-yl)indole-1-carboxylic acid Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)N(C(=C3)C4=CC5=CC=CC=C5NC4=O)C(=O)O)C(=O)CO

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)N(C(=C3)C4=CC5=CC=CC=C5NC4=O)C(=O)O)C(=O)CO

InChI

InChI=1S/C25H24N4O5/c30-15-23(31)28-9-7-27(8-10-28)14-16-5-6-21-18(11-16)13-22(29(21)25(33)34)19-12-17-3-1-2-4-20(17)26-24(19)32/h1-6,11-13,30H,7-10,14-15H2,(H,26,32)(H,33,34)