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

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] (E)-3-(2-bromophenyl)prop-2-enoate CAS Name: (E)-3-(2-bromophenyl)-2-propenoic acid [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] (E)-3-(2-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromophenyl)acrylic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C=CC3=CC=CC=C3Br

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)/C=C/C3=CC=CC=C3Br

InChI

InChI=1S/C21H20BrNO3/c1-15(26-20(24)11-10-17-7-4-5-9-19(17)22)21(25)23-13-12-16-6-2-3-8-18(16)14-23/h2-11,15H,12-14H2,1H3/b11-10+/t15-/m1/s1