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

Systemtic Name: methyl (E)-4-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate Openeye Name: methyl (E)-4-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate CAS Name: (E)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate Traditional Name: (E)-4-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoic acid methyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCN1CCC2=CC=CC=C2C1

Isomeric SMILES

COC(=O)/C=C/CN1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H17NO2/c1-17-14(16)7-4-9-15-10-8-12-5-2-3-6-13(12)11-15/h2-7H,8-11H2,1H3/b7-4+