[isoquinolin-1-yl(phenyl)methyl] (E)-but-2-enoate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] (E)-but-2-enoate Openeye Name: [1-isoquinolyl(phenyl)methyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C20H17NO2 MolecularWeight: 303.35448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO2/c1-2-8-18(22)23-20(16-10-4-3-5-11-16)19-17-12-7-6-9-15(17)13-14-21-19/h2-14,20H,1H3/b8-2+