5,6,7-trimethoxy-1-(4-methoxy-2-nitro-5-phenylmethoxy-phenyl)-3,4-dihydroisoquinoline

Systemtic Name: 5,6,7-trimethoxy-1-(4-methoxy-2-nitro-5-phenylmethoxy-phenyl)-3,4-dihydroisoquinoline Openeye Name: 1-(5-benzyloxy-4-methoxy-2-nitro-phenyl)-5,6,7-trimethoxy-3,4-dihydroisoquinoline CAS Name: 5,6,7-trimethoxy-1-(4-methoxy-2-nitro-5-phenylmethoxyphenyl)-3,4-dihydroisoquinoline IUPAC Name: 5,6,7-trimethoxy-1-(4-methoxy-2-nitro-5-phenylmethoxyphenyl)-3,4-dihydroisoquinoline Traditional Name: 1-(5-benzoxy-4-methoxy-2-nitro-phenyl)-5,6,7-trimethoxy-3,4-dihydroisoquinoline Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CCN=C(C2=C1)C3=CC(=C(C=C3[N+](=O)[O-])OC)OCC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C2CCN=C(C2=C1)C3=CC(=C(C=C3[N+](=O)[O-])OC)OCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H26N2O7/c1-31-21-14-20(28(29)30)19(13-22(21)35-15-16-8-6-5-7-9-16)24-18-12-23(32-2)26(34-4)25(33-3)17(18)10-11-27-24/h5-9,12-14H,10-11,15H2,1-4H3