ethyl (E)-3-[1-(aminomethyl)-6,7-dimethoxy-isoquinolin-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-(aminomethyl)-6,7-dimethoxy-isoquinolin-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(aminomethyl)-6,7-dimethoxy-4-isoquinolyl]prop-2-enoate CAS Name: (E)-3-[1-(aminomethyl)-6,7-dimethoxy-4-isoquinolinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(aminomethyl)-6,7-dimethoxyisoquinolin-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(aminomethyl)-6,7-dimethoxy-4-isoquinolyl]acrylic acid ethyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(C2=CC(=C(C=C21)OC)OC)CN

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(C2=CC(=C(C=C21)OC)OC)CN

InChI

InChI=1S/C17H20N2O4/c1-4-23-17(20)6-5-11-10-19-14(9-18)13-8-16(22-3)15(21-2)7-12(11)13/h5-8,10H,4,9,18H2,1-3H3/b6-5+