ethyl (E)-4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]but-2-enoate Openeye Name: ethyl (E)-4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]but-2-enoate CAS Name: (E)-4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]but-2-enoate Traditional Name: (E)-4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]but-2-enoic acid ethyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CCC1C2=CC(=C(C=C2CCN1)OC)OC

Isomeric SMILES

CCOC(=O)/C=C/C[C@H]1C2=CC(=C(C=C2CCN1)OC)OC

InChI

InChI=1S/C17H23NO4/c1-4-22-17(19)7-5-6-14-13-11-16(21-3)15(20-2)10-12(13)8-9-18-14/h5,7,10-11,14,18H,4,6,8-9H2,1-3H3/b7-5+/t14-/m0/s1