4-[[4-oxidanylidene-6-(piperidin-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-oxidanylidene-6-(piperidin-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[4-oxo-6-(1-piperidylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[4-oxo-6-[oxo-(1-piperidinylmethylamino)methyl]-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[4-oxo-6-(piperidin-1-ylmethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-(piperidinomethylcarbamoyl)-1H-quinolin-3-yl]methyl]benzoic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)CNC(=O)C2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H25N3O4/c28-22-19(12-16-4-6-17(7-5-16)24(30)31)14-25-21-9-8-18(13-20(21)22)23(29)26-15-27-10-2-1-3-11-27/h4-9,13-14H,1-3,10-12,15H2,(H,25,28)(H,26,29)(H,30,31)