[isoquinolin-1-yl(phenyl)methyl] 3-methylbut-2-enoate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] 3-methylbut-2-enoate Openeye Name: [1-isoquinolyl(phenyl)methyl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C21H19NO2 MolecularWeight: 317.38106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC(C1=CC=CC=C1)C2=NC=CC3=CC=CC=C32)C

Isomeric SMILES

CC(=CC(=O)OC(C1=CC=CC=C1)C2=NC=CC3=CC=CC=C32)C

InChI

InChI=1S/C21H19NO2/c1-15(2)14-19(23)24-21(17-9-4-3-5-10-17)20-18-11-7-6-8-16(18)12-13-22-20/h3-14,21H,1-2H3