methyl 4-[(E)-3-(isoquinolin-5-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(isoquinolin-5-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(5-isoquinolylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(5-isoquinolinylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(isoquinolin-5-ylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(5-isoquinolylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H16N2O3 MolecularWeight: 332.35264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H16N2O3/c1-25-20(24)15-8-5-14(6-9-15)7-10-19(23)22-18-4-2-3-16-13-21-12-11-17(16)18/h2-13H,1H3,(H,22,23)/b10-7+