[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoic acid [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate Traditional Name: (2E,4E)-hexa-2,4-dienoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C=C/C(=O)OC(C)C(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C18H21NO3/c1-3-4-5-10-17(20)22-14(2)18(21)19-12-11-15-8-6-7-9-16(15)13-19/h3-10,14H,11-13H2,1-2H3/b4-3+,10-5+