(E)-4-(2-methoxycarbonyl-1H-isoquinolin-1-yl)but-2-enoic acid

Systemtic Name: (E)-4-(2-methoxycarbonyl-1H-isoquinolin-1-yl)but-2-enoic acid Openeye Name: (E)-4-(2-methoxycarbonyl-1H-isoquinolin-1-yl)but-2-enoic acid CAS Name: (E)-4-(2-methoxycarbonyl-1H-isoquinolin-1-yl)-2-butenoic acid IUPAC Name: (E)-4-(2-methoxycarbonyl-1H-isoquinolin-1-yl)but-2-enoic acid Traditional Name: (E)-4-(2-carbomethoxy-1H-isoquinolin-1-yl)but-2-enoic acid Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=CC=CC=C2C1CC=CC(=O)O

Isomeric SMILES

COC(=O)N1C=CC2=CC=CC=C2C1C/C=C/C(=O)O

InChI

InChI=1S/C15H15NO4/c1-20-15(19)16-10-9-11-5-2-3-6-12(11)13(16)7-4-8-14(17)18/h2-6,8-10,13H,7H2,1H3,(H,17,18)/b8-4+