ethyl 1-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[(E)-2-oxidanylidene-4-phenyl-but-3-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[(E)-2-oxo-4-phenyl-but-3-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(E)-2-oxo-4-phenylbut-3-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-2-oxo-4-phenylbut-3-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[(E)-2-keto-4-phenyl-but-3-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC=CC=C2C1CC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC2=CC=CC=C2C1CC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H23NO3/c1-2-26-22(25)23-15-14-18-10-6-7-11-20(18)21(23)16-19(24)13-12-17-8-4-3-5-9-17/h3-13,21H,2,14-16H2,1H3/b13-12+