(9E,12E)-1-(6-methoxy-1-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)octadeca-9,12-dien-1-one

Systemtic Name: (9E,12E)-1-(6-methoxy-1-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)octadeca-9,12-dien-1-one Openeye Name: (9E,12E)-1-(7-hydroxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)octadeca-9,12-dien-1-one CAS Name: (9E,12E)-1-(7-hydroxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-octadeca-9,12-dienone IUPAC Name: (9E,12E)-1-(7-hydroxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)octadeca-9,12-dien-1-one Traditional Name: (9E,12E)-1-(7-hydroxy-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)octadeca-9,12-dien-1-one Formula: C29H45NO3 MolecularWeight: 455.6725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)N1CCC2=CC(=C(C=C2C1C)O)OC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)N1CCC2=CC(=C(C=C2C1C)O)OC

InChI

InChI=1S/C29H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(32)30-21-20-25-22-28(33-3)27(31)23-26(25)24(30)2/h8-9,11-12,22-24,31H,4-7,10,13-21H2,1-3H3/b9-8+,12-11+