ethyl 2-[7-methoxy-1-[2-(5-methoxy-2-oxidanyl-phenyl)-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]-6-phenylmethoxy-isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[7-methoxy-1-[2-(5-methoxy-2-oxidanyl-phenyl)-1-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-ethyl]-6-phenylmethoxy-isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[6-benzyloxy-1-[1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-hydroxy-5-methoxy-phenyl)-2-oxo-ethyl]-7-methoxy-isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[2-(2-hydroxy-5-methoxyphenyl)-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-hydroxy-5-methoxyphenyl)-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-hydroxy-5-methoxy-phenyl)-2-keto-ethyl]-7-methoxy-isoquinolin-2-ium-2-yl]acetic acid ethyl ester Formula: C44H42NO9+ MolecularWeight: 728.80558

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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=C(C=CC(=C6)OC)O

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=C(C=CC(=C6)OC)O

InChI

InChI=1S/C44H41NO9/c1-5-52-41(47)26-45-21-20-31-22-40(54-28-30-14-10-7-11-15-30)39(51-4)25-34(31)43(45)42(44(48)35-24-33(49-2)17-18-36(35)46)32-16-19-37(38(23-32)50-3)53-27-29-12-8-6-9-13-29/h6-25,42H,5,26-28H2,1-4H3/p+1