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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-methoxyphenyl)methyl]-1,4-diazepane Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O3/c1-3-32-27-20-24(12-15-26(27)33-21-22-8-5-4-6-9-22)28(30-18-7-16-29-17-19-30)23-10-13-25(31-2)14-11-23/h4-6,8-15,20,28-29H,3,7,16-19,21H2,1-2H3