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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3,4-dimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3,4-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=CC(=C(C=C2)OC)OC)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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