ethyl (E)-3-[6-[4-(2-azanylpropan-2-yl)phenyl]isoquinolin-5-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[6-[4-(2-azanylpropan-2-yl)phenyl]isoquinolin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-isoquinolyl]prop-2-enoate CAS Name: (E)-3-[6-[4-(2-aminopropan-2-yl)phenyl]-5-isoquinolinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]prop-2-enoate Traditional Name: (E)-3-[6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-isoquinolyl]acrylic acid ethyl ester Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C=CC2=C1C=CN=C2)C3=CC=C(C=C3)C(C)(C)N

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C=CC2=C1C=CN=C2)C3=CC=C(C=C3)C(C)(C)N

InChI

InChI=1S/C23H24N2O2/c1-4-27-22(26)12-11-21-19(10-7-17-15-25-14-13-20(17)21)16-5-8-18(9-6-16)23(2,3)24/h5-15H,4,24H2,1-3H3/b12-11+