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

Systemtic Name: ethyl (E)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethanoyl-but-2-enoate Openeye Name: ethyl (E)-2-acetyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate CAS Name: (E)-2-acetyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-acetyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoate Traditional Name: (E)-2-acetyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)but-2-enoic acid ethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-4-21-17(20)16(13(3)19)12(2)18-10-9-14-7-5-6-8-15(14)11-18/h5-8H,4,9-11H2,1-3H3/b16-12+