6-azanyl-2-[4-[(2-tert-butyl-6-methoxy-quinolin-8-yl)amino]pentylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[4-[(2-tert-butyl-6-methoxy-quinolin-8-yl)amino]pentylamino]hexanoic acid Openeye Name: 6-amino-2-[4-[(2-tert-butyl-6-methoxy-8-quinolyl)amino]pentylamino]hexanoic acid CAS Name: 6-amino-2-[4-[(2-tert-butyl-6-methoxy-8-quinolinyl)amino]pentylamino]hexanoic acid IUPAC Name: 6-amino-2-[4-[(2-tert-butyl-6-methoxyquinolin-8-yl)amino]pentylamino]hexanoic acid Traditional Name: 6-amino-2-[4-[(2-tert-butyl-6-methoxy-8-quinolyl)amino]pentylamino]hexanoic acid Formula: C25H40N4O3 MolecularWeight: 444.6101

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(CCCCN)C(=O)O)NC1=C2C(=CC(=C1)OC)C=CC(=N2)C(C)(C)C

Isomeric SMILES

CC(CCCNC(CCCCN)C(=O)O)NC1=C2C(=CC(=C1)OC)C=CC(=N2)C(C)(C)C

InChI

InChI=1S/C25H40N4O3/c1-17(9-8-14-27-20(24(30)31)10-6-7-13-26)28-21-16-19(32-5)15-18-11-12-22(25(2,3)4)29-23(18)21/h11-12,15-17,20,27-28H,6-10,13-14,26H2,1-5H3,(H,30,31)