2-[4-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxy]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxy]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxy]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxy]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxy]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(1-decyl-6-methoxy-3,4-dihydroisoquinolin-5-yl)oxy]butyl]isoindoline-1,3-quinone Formula: C32H42N2O4 MolecularWeight: 518.68688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NCCC2=C1C=CC(=C2OCCCCN3C(=O)C4=CC=CC=C4C3=O)OC

Isomeric SMILES

CCCCCCCCCCC1=NCCC2=C1C=CC(=C2OCCCCN3C(=O)C4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C32H42N2O4/c1-3-4-5-6-7-8-9-10-17-28-24-18-19-29(37-2)30(25(24)20-21-33-28)38-23-14-13-22-34-31(35)26-15-11-12-16-27(26)32(34)36/h11-12,15-16,18-19H,3-10,13-14,17,20-23H2,1-2H3