ethyl 2-[1-[2-(2-hydroxyphenyl)-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]-7-methoxy-6-phenylmethoxy-isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[2-(2-hydroxyphenyl)-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]-7-methoxy-6-phenylmethoxy-isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[6-benzyloxy-1-[1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-hydroxyphenyl)-2-oxo-ethyl]-7-methoxy-isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[2-(2-hydroxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-2-oxoethyl]-7-methoxy-6-phenylmethoxy-2-isoquinolin-2-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(2-hydroxyphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)-2-oxoethyl]-7-methoxy-6-phenylmethoxyisoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[6-benzoxy-1-[1-(4-benzoxy-3-methoxy-phenyl)-2-(2-hydroxyphenyl)-2-keto-ethyl]-7-methoxy-isoquinolin-2-ium-2-yl]acetic acid ethyl ester Formula: C43H40NO8+ MolecularWeight: 698.7796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C2=CC(=C(C=C2C=C1)OCC3=CC=CC=C3)OC)C(C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)C6=CC=CC=C6O

Isomeric SMILES

CCOC(=O)C[N+]1=C(C2=CC(=C(C=C2C=C1)OCC3=CC=CC=C3)OC)C(C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)C6=CC=CC=C6O

InChI

InChI=1S/C43H39NO8/c1-4-50-40(46)26-44-22-21-31-23-39(52-28-30-15-9-6-10-16-30)38(49-3)25-34(31)42(44)41(43(47)33-17-11-12-18-35(33)45)32-19-20-36(37(24-32)48-2)51-27-29-13-7-5-8-14-29/h5-25,41H,4,26-28H2,1-3H3/p+1