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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CNCCCCC(CC(=O)O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CNCCCCC(CC(=O)O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H30N4O2/c30-24(31)15-19(21-14-20-7-1-2-9-23(20)28-16-21)6-3-4-12-26-17-22-11-10-18-8-5-13-27-25(18)29-22/h1-2,7,9-11,14,16,19,26H,3-6,8,12-13,15,17H2,(H,27,29)(H,30,31)