phenyl 1-(2-methylbut-3-en-2-yl)-1H-isoquinoline-2-carboxylate

Systemtic Name: phenyl 1-(2-methylbut-3-en-2-yl)-1H-isoquinoline-2-carboxylate Openeye Name: phenyl 1-(1,1-dimethylallyl)-1H-isoquinoline-2-carboxylate CAS Name: 1-(2-methylbut-3-en-2-yl)-1H-isoquinoline-2-carboxylic acid phenyl ester IUPAC Name: phenyl 1-(2-methylbut-3-en-2-yl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-(1,1-dimethylallyl)-1H-isoquinoline-2-carboxylic acid phenyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)C1C2=CC=CC=C2C=CN1C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C=C)C1C2=CC=CC=C2C=CN1C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H21NO2/c1-4-21(2,3)19-18-13-9-8-10-16(18)14-15-22(19)20(23)24-17-11-6-5-7-12-17/h4-15,19H,1H2,2-3H3