3-quinolin-3-yl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)heptanoic acid

Systemtic Name: 3-quinolin-3-yl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)heptanoic acid Openeye Name: 3-(3-quinolyl)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)heptanoic acid CAS Name: 3-(3-quinolinyl)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)heptanoic acid IUPAC Name: 3-quinolin-3-yl-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)heptanoic acid Traditional Name: 3-(3-quinolyl)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)enanthic acid Formula: C25H30N4O2 MolecularWeight: 418.5313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=CC=CC=C2N=C1)C(C(=O)O)NCC3=NC4=C(CCCN4)C=C3

Isomeric SMILES

CCCCC(C1=CC2=CC=CC=C2N=C1)C(C(=O)O)NCC3=NC4=C(CCCN4)C=C3

InChI

InChI=1S/C25H30N4O2/c1-2-3-9-21(19-14-18-7-4-5-10-22(18)27-15-19)23(25(30)31)28-16-20-12-11-17-8-6-13-26-24(17)29-20/h4-5,7,10-12,14-15,21,23,28H,2-3,6,8-9,13,16H2,1H3,(H,26,29)(H,30,31)