methyl 3,5-dimethoxy-2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 3,5-dimethoxy-2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 3,5-dimethoxy-2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 3,5-dimethoxy-2-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3,5-dimethoxy-2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 3,5-dimethoxy-2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(C=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)CC3=C(C=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C23H31N3O4/c1-17-7-5-8-18(24-17)15-25-9-6-10-26(12-11-25)16-21-20(23(27)30-4)13-19(28-2)14-22(21)29-3/h5,7-8,13-14H,6,9-12,15-16H2,1-4H3