4-[[6,7-bis(phenylmethoxy)-3,4-dihydroisoquinolin-1-yl]methyl]-2-nitro-phenol

Systemtic Name: 4-[[6,7-bis(phenylmethoxy)-3,4-dihydroisoquinolin-1-yl]methyl]-2-nitro-phenol Openeye Name: 4-[(6,7-dibenzyloxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-nitro-phenol CAS Name: 4-[[6,7-bis(phenylmethoxy)-3,4-dihydroisoquinolin-1-yl]methyl]-2-nitrophenol IUPAC Name: 4-[[6,7-bis(phenylmethoxy)-3,4-dihydroisoquinolin-1-yl]methyl]-2-nitrophenol Traditional Name: 4-[(6,7-dibenzoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-nitro-phenol Formula: C30H26N2O5 MolecularWeight: 494.53784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC(=C(C=C21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC(=C(C=C5)O)[N+](=O)[O-]

Isomeric SMILES

C1CN=C(C2=CC(=C(C=C21)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC(=C(C=C5)O)[N+](=O)[O-]

InChI

InChI=1S/C30H26N2O5/c33-28-12-11-23(16-27(28)32(34)35)15-26-25-18-30(37-20-22-9-5-2-6-10-22)29(17-24(25)13-14-31-26)36-19-21-7-3-1-4-8-21/h1-12,16-18,33H,13-15,19-20H2