1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C29H36N2O5 MolecularWeight: 492.60654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCNCC4

InChI

InChI=1S/C29H36N2O5/c1-32-23-12-8-13-24(33-2)27(23)28(31-16-9-14-30-15-17-31)22-18-25(34-3)29(26(19-22)35-4)36-20-21-10-6-5-7-11-21/h5-8,10-13,18-19,28,30H,9,14-17,20H2,1-4H3