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

Systemtic Name: 1-[(2,6-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(2,6-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,6-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(2,6-dimethoxyphenyl)methyl]-1,4-diazepane Formula: C29H36N2O4 MolecularWeight: 476.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C=CC=C2OC)OC)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=CC=C2OC)OC)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H36N2O4/c1-4-34-27-20-23(14-15-24(27)35-21-22-10-6-5-7-11-22)29(31-18-9-16-30-17-19-31)28-25(32-2)12-8-13-26(28)33-3/h5-8,10-15,20,29-30H,4,9,16-19,21H2,1-3H3