2-[3-[2-(pentylcarbamoylamino)quinolin-6-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[2-(pentylcarbamoylamino)quinolin-6-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[2-(pentylcarbamoylamino)-6-quinolyl]propanoylamino]benzoic acid CAS Name: 2-[[1-oxo-3-[2-[[oxo-(pentylamino)methyl]amino]-6-quinolinyl]propyl]amino]benzoic acid IUPAC Name: 2-[3-[2-(pentylcarbamoylamino)quinolin-6-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[2-(amylcarbamoylamino)-6-quinolyl]propanoylamino]benzoic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NC1=NC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCNC(=O)NC1=NC2=C(C=C1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H28N4O4/c1-2-3-6-15-26-25(33)29-22-13-11-18-16-17(9-12-20(18)27-22)10-14-23(30)28-21-8-5-4-7-19(21)24(31)32/h4-5,7-9,11-13,16H,2-3,6,10,14-15H2,1H3,(H,28,30)(H,31,32)(H2,26,27,29,33)