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

Systemtic Name: ethyl 2-[2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(2-allyl-1-oxo-5-isoquinolyl)oxy]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(1-oxo-2-prop-2-enyl-5-isoquinolinyl)oxy]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1-oxo-2-prop-2-enylisoquinolin-5-yl)oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[(2-allyl-1-keto-5-isoquinolyl)oxy]acetyl]amino]benzoic acid ethyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC3=C2C=CN(C3=O)CC=C

InChI

InChI=1S/C23H22N2O5/c1-3-13-25-14-12-16-17(22(25)27)9-7-11-20(16)30-15-21(26)24-19-10-6-5-8-18(19)23(28)29-4-2/h3,5-12,14H,1,4,13,15H2,2H3,(H,24,26)