2-(4,4-dimethoxybutyl)-3-phenyl-3-propoxy-isoindol-1-one

Systemtic Name: 2-(4,4-dimethoxybutyl)-3-phenyl-3-propoxy-isoindol-1-one Openeye Name: 2-(4,4-dimethoxybutyl)-3-phenyl-3-propoxy-isoindolin-1-one CAS Name: 2-(4,4-dimethoxybutyl)-3-phenyl-3-propoxy-1-isoindolone IUPAC Name: 2-(4,4-dimethoxybutyl)-3-phenyl-3-propoxyisoindol-1-one Traditional Name: 2-(4,4-dimethoxybutyl)-3-phenyl-3-propoxy-isoindolin-1-one Formula: C23H29NO4 MolecularWeight: 383.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2=CC=CC=C2C(=O)N1CCCC(OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCCOC1(C2=CC=CC=C2C(=O)N1CCCC(OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO4/c1-4-17-28-23(18-11-6-5-7-12-18)20-14-9-8-13-19(20)22(25)24(23)16-10-15-21(26-2)27-3/h5-9,11-14,21H,4,10,15-17H2,1-3H3