methyl 4-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(4-p-anisyl-1,4-diazepan-1-yl)propoxy]benzoic acid methyl ester Formula: C24H32N2O5 MolecularWeight: 428.52128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

InChI

InChI=1S/C24H32N2O5/c1-29-22-8-4-19(5-9-22)16-25-12-3-13-26(15-14-25)17-21(27)18-31-23-10-6-20(7-11-23)24(28)30-2/h4-11,21,27H,3,12-18H2,1-2H3