[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C30H34ClNO5 MolecularWeight: 524.04766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C6=CC=CC=C6)OC

InChI

InChI=1S/C30H34ClNO5/c1-35-24-11-22-8-9-32(27(21-6-4-3-5-7-21)23(22)12-25(24)36-2)26(33)17-37-28(34)29-13-19-10-20(14-29)16-30(31,15-19)18-29/h3-7,11-12,19-20,27H,8-10,13-18H2,1-2H3