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

Systemtic Name: methyl (Z)-2-acetamido-3-[1-azanyl-7-(2-azanylethoxy)isoquinolin-6-yl]prop-2-enoate Openeye Name: methyl (Z)-2-acetamido-3-[1-amino-7-(2-aminoethoxy)-6-isoquinolyl]prop-2-enoate CAS Name: (Z)-2-acetamido-3-[1-amino-7-(2-aminoethoxy)-6-isoquinolinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-acetamido-3-[1-amino-7-(2-aminoethoxy)isoquinolin-6-yl]prop-2-enoate Traditional Name: (Z)-2-acetamido-3-[1-amino-7-(2-aminoethoxy)-6-isoquinolyl]acrylic acid methyl ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4/c1-10(22)21-14(17(23)24-2)8-12-7-11-3-5-20-16(19)13(11)9-15(12)25-6-4-18/h3,5,7-9H,4,6,18H2,1-2H3,(H2,19,20)(H,21,22)/b14-8-