methyl 2-[[(Z)-3-isoquinolin-1-ylbut-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[(Z)-3-isoquinolin-1-ylbut-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(Z)-3-(1-isoquinolyl)but-2-enoyl]amino]benzoate CAS Name: 2-[[(Z)-3-(1-isoquinolinyl)-1-oxobut-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(Z)-3-isoquinolin-1-ylbut-2-enoyl]amino]benzoate Traditional Name: 2-[[(Z)-3-(1-isoquinolyl)but-2-enoyl]amino]benzoic acid methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1C(=O)OC)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

C/C(=C/C(=O)NC1=CC=CC=C1C(=O)OC)/C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C21H18N2O3/c1-14(20-16-8-4-3-7-15(16)11-12-22-20)13-19(24)23-18-10-6-5-9-17(18)21(25)26-2/h3-13H,1-2H3,(H,23,24)/b14-13-