1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane Formula: C30H38N2O5 MolecularWeight: 506.63312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O5/c1-5-36-26-18-23(12-13-25(26)37-21-22-10-7-6-8-11-22)29(32-16-9-14-31-15-17-32)24-19-27(33-2)30(35-4)28(20-24)34-3/h6-8,10-13,18-20,29,31H,5,9,14-17,21H2,1-4H3