ethyl (E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate Openeye Name: ethyl (E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate CAS Name: (E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate Traditional Name: (E)-2-cyano-3-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoic acid ethyl ester Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)N1CCC2=CC=CC=C2C1)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C)/N1CCC2=CC=CC=C2C1)/C#N

InChI

InChI=1S/C16H18N2O2/c1-3-20-16(19)15(10-17)12(2)18-9-8-13-6-4-5-7-14(13)11-18/h4-7H,3,8-9,11H2,1-2H3/b15-12+