2-[2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]oxyethyl]-5H-isoindole-1,3,4-trione

Systemtic Name: 2-[2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]oxyethyl]-5H-isoindole-1,3,4-trione Openeye Name: 2-[2-[[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]oxy]ethyl]-5H-isoindole-1,3,4-trione CAS Name: 2-[2-[[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]oxy]ethyl]-5H-isoindole-1,3,4-trione IUPAC Name: 2-[2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]oxyethyl]-5H-isoindole-1,3,4-trione Traditional Name: 2-[2-[[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]oxy]ethyl]-5H-isoindole-1,3,4-trione Formula: C28H33N3O6 MolecularWeight: 507.57812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCCN3C(=O)C4=C(C3=O)C(=O)CC=C4)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCCN3C(=O)C4=C(C3=O)C(=O)CC=C4)CC(C)C)CN

InChI

InChI=1S/C28H33N3O6/c1-4-5-12-37-25-21-14-18(9-10-19(21)26(33)31(16-17(2)3)22(25)15-29)36-13-11-30-27(34)20-7-6-8-23(32)24(20)28(30)35/h6-7,9-10,14,17H,4-5,8,11-13,15-16,29H2,1-3H3