methyl (Z)-2-acetamido-3-[1-azanyl-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]isoquinolin-6-yl]prop-2-enoate

Systemtic Name: methyl (Z)-2-acetamido-3-[1-azanyl-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]isoquinolin-6-yl]prop-2-enoate Openeye Name: methyl (Z)-2-acetamido-3-[1-amino-7-[2-(tert-butoxycarbonylamino)ethoxy]-6-isoquinolyl]prop-2-enoate CAS Name: (Z)-2-acetamido-3-[1-amino-7-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]-6-isoquinolinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-acetamido-3-[1-amino-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]isoquinolin-6-yl]prop-2-enoate Traditional Name: (Z)-2-acetamido-3-[1-amino-7-[2-(tert-butoxycarbonylamino)ethoxy]-6-isoquinolyl]acrylic acid methyl ester Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=C(C=C2C(=C1)C=CN=C2N)OCCNC(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(=O)N/C(=C\C1=C(C=C2C(=C1)C=CN=C2N)OCCNC(=O)OC(C)(C)C)/C(=O)OC

InChI

InChI=1S/C22H28N4O6/c1-13(27)26-17(20(28)30-5)11-15-10-14-6-7-24-19(23)16(14)12-18(15)31-9-8-25-21(29)32-22(2,3)4/h6-7,10-12H,8-9H2,1-5H3,(H2,23,24)(H,25,29)(H,26,27)/b17-11-