4-(2-oxidanylethanoyl)-2-(2-oxidanylidene-1H-quinolin-3-yl)-3-(piperazin-1-ylmethyl)indole-1-carboxylic acid

Systemtic Name: 4-(2-oxidanylethanoyl)-2-(2-oxidanylidene-1H-quinolin-3-yl)-3-(piperazin-1-ylmethyl)indole-1-carboxylic acid Openeye Name: 4-(2-hydroxyacetyl)-2-(2-oxo-1H-quinolin-3-yl)-3-(piperazin-1-ylmethyl)indole-1-carboxylic acid CAS Name: 4-(2-hydroxy-1-oxoethyl)-2-(2-oxo-1H-quinolin-3-yl)-3-(1-piperazinylmethyl)-1-indolecarboxylic acid IUPAC Name: 4-(2-hydroxyacetyl)-2-(2-oxo-1H-quinolin-3-yl)-3-(piperazin-1-ylmethyl)indole-1-carboxylic acid Traditional Name: 4-glycoloyl-2-(2-keto-1H-quinolin-3-yl)-3-(piperazinomethyl)indole-1-carboxylic acid Formula: C25H24N4O5 MolecularWeight: 460.48186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=C(N(C3=CC=CC(=C32)C(=O)CO)C(=O)O)C4=CC5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CCN1)CC2=C(N(C3=CC=CC(=C32)C(=O)CO)C(=O)O)C4=CC5=CC=CC=C5NC4=O

InChI

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