[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(phenylcarbonyl)benzoate

Systemtic Name: [(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl] 2-(phenylcarbonyl)benzoate Openeye Name: [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl] 2-benzoylbenzoate CAS Name: 2-benzoylbenzoic 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] 2-benzoylbenzoate Traditional Name: 2-benzoylbenzoic acid [(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C26H23NO4 MolecularWeight: 413.46512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23NO4/c1-18(25(29)27-16-15-19-9-5-6-12-21(19)17-27)31-26(30)23-14-8-7-13-22(23)24(28)20-10-3-2-4-11-20/h2-14,18H,15-17H2,1H3/t18-/m1/s1