methyl 4-[2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-allyl-1-keto-5-isoquinolyl)oxy]acetyl]amino]benzoic acid methyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C

InChI

InChI=1S/C22H20N2O5/c1-3-12-24-13-11-17-18(21(24)26)5-4-6-19(17)29-14-20(25)23-16-9-7-15(8-10-16)22(27)28-2/h3-11,13H,1,12,14H2,2H3,(H,23,25)