[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate

Systemtic Name: [1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(3-fluorophenyl)-2-propenoic 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] (E)-3-(3-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluorophenyl)acrylic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20FNO3 MolecularWeight: 353.386803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FNO3/c1-15(26-20(24)10-9-16-5-4-8-19(22)13-16)21(25)23-12-11-17-6-2-3-7-18(17)14-23/h2-10,13,15H,11-12,14H2,1H3/b10-9+