5-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypentanoic acid

Systemtic Name: 5-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypentanoic acid Openeye Name: 5-[[3-(aminomethyl)-2-isobutyl-4-(p-tolyl)-6-quinolyl]oxy]pentanoic acid CAS Name: 5-[[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-6-quinolinyl]oxy]pentanoic acid IUPAC Name: 5-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypentanoic acid Traditional Name: 5-[[3-(aminomethyl)-2-isobutyl-4-(p-tolyl)-6-quinolyl]oxy]valeric acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CN)CC(C)C)OCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2CN)CC(C)C)OCCCCC(=O)O

InChI

InChI=1S/C26H32N2O3/c1-17(2)14-24-22(16-27)26(19-9-7-18(3)8-10-19)21-15-20(11-12-23(21)28-24)31-13-5-4-6-25(29)30/h7-12,15,17H,4-6,13-14,16,27H2,1-3H3,(H,29,30)