[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3,4,5-triacetyloxybenzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3,4,5-triacetoxybenzoate CAS Name: 3,4,5-triacetyloxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,4,5-triacetyloxybenzoate Traditional Name: 3,4,5-triacetoxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H23NO9 MolecularWeight: 469.44072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)OC(=O)C)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C24H23NO9/c1-14(26)32-20-10-19(11-21(33-15(2)27)23(20)34-16(3)28)24(30)31-13-22(29)25-9-8-17-6-4-5-7-18(17)12-25/h4-7,10-11H,8-9,12-13H2,1-3H3