tert-butyl (E)-3-[6-(dimethylamino)-3-(2-methoxyphenyl)isoquinolin-4-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[6-(dimethylamino)-3-(2-methoxyphenyl)isoquinolin-4-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[6-(dimethylamino)-3-(2-methoxyphenyl)-4-isoquinolyl]prop-2-enoate CAS Name: (E)-3-[6-(dimethylamino)-3-(2-methoxyphenyl)-4-isoquinolinyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[6-(dimethylamino)-3-(2-methoxyphenyl)isoquinolin-4-yl]prop-2-enoate Traditional Name: (E)-3-[6-(dimethylamino)-3-(2-methoxyphenyl)-4-isoquinolyl]acrylic acid tert-butyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CC1=C2C=C(C=CC2=CN=C1C3=CC=CC=C3OC)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/C1=C2C=C(C=CC2=CN=C1C3=CC=CC=C3OC)N(C)C

InChI

InChI=1S/C25H28N2O3/c1-25(2,3)30-23(28)14-13-19-21-15-18(27(4)5)12-11-17(21)16-26-24(19)20-9-7-8-10-22(20)29-6/h7-16H,1-6H3/b14-13+