ethyl 4-[[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoic acid ethyl ester Formula: C27H27ClN2O5 MolecularWeight: 494.96668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CC=C4Cl)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CC=C4Cl)OC)OC

InChI

InChI=1S/C27H27ClN2O5/c1-4-35-26(31)17-9-11-19(12-10-17)29-27(32)30-14-13-18-15-23(33-2)24(34-3)16-21(18)25(30)20-7-5-6-8-22(20)28/h5-12,15-16,25H,4,13-14H2,1-3H3,(H,29,32)