2-[6,7-dimethoxy-1-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile

Systemtic Name: 2-[6,7-dimethoxy-1-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile Openeye Name: 2-[1-[(E)-4-hydroxy-3-methyl-but-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile CAS Name: 2-[1-[(E)-4-hydroxy-3-methylbut-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile IUPAC Name: 2-[1-[(E)-4-hydroxy-3-methylbut-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentanenitrile Traditional Name: 2-[1-[(E)-4-hydroxy-3-methyl-but-2-enyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]valeronitrile Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)N1CCC2=CC(=C(C=C2C1CC=C(C)CO)OC)OC

Isomeric SMILES

CCCC(C#N)N1CCC2=CC(=C(C=C2C1C/C=C(\C)/CO)OC)OC

InChI

InChI=1S/C21H30N2O3/c1-5-6-17(13-22)23-10-9-16-11-20(25-3)21(26-4)12-18(16)19(23)8-7-15(2)14-24/h7,11-12,17,19,24H,5-6,8-10,14H2,1-4H3/b15-7+