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

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-31-24-11-7-12-25(32-2)27(24)28(30-17-8-15-29-16-18-30)22-13-14-23(26(19-22)33-3)34-20-21-9-5-4-6-10-21/h4-7,9-14,19,28-29H,8,15-18,20H2,1-3H3