2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6,7-dimethoxy-4,4-dimethyl-3-oxidanyl-3H-isoquinolin-1-one

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6,7-dimethoxy-4,4-dimethyl-3-oxidanyl-3H-isoquinolin-1-one Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-3-hydroxy-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-3-hydroxy-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-3-hydroxy-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one Traditional Name: 2-[3-[homoveratryl(methyl)amino]propyl]-3-hydroxy-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one Formula: C27H38N2O6 MolecularWeight: 486.60042

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C(=O)C2=CC(=C(C=C21)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)O)C

Isomeric SMILES

CC1(C(N(C(=O)C2=CC(=C(C=C21)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)O)C

InChI

InChI=1S/C27H38N2O6/c1-27(2)20-17-24(35-7)23(34-6)16-19(20)25(30)29(26(27)31)13-8-12-28(3)14-11-18-9-10-21(32-4)22(15-18)33-5/h9-10,15-17,26,31H,8,11-14H2,1-7H3