2-ethenyl-1-[[4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid

Systemtic Name: 2-ethenyl-1-[[4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-2-yl]carbonylamino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[4-[(6-methoxy-1-isoquinolyl)oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: 2-ethenyl-1-[[[4-[(6-methoxy-1-isoquinolinyl)oxy]-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 2-ethenyl-1-[[4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[4-[(6-methoxy-1-isoquinolyl)oxy]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC=C2)OC3CC(NC3)C(=O)NC4(CC4C=C)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC=C2)OC3CC(NC3)C(=O)NC4(CC4C=C)C(=O)O

InChI

InChI=1S/C21H23N3O5/c1-3-13-10-21(13,20(26)27)24-18(25)17-9-15(11-23-17)29-19-16-5-4-14(28-2)8-12(16)6-7-22-19/h3-8,13,15,17,23H,1,9-11H2,2H3,(H,24,25)(H,26,27)