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

Systemtic Name: ethyl 4-[2-(1-oxidanylidene-2-prop-2-enyl-isoquinolin-5-yl)oxyethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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