tert-butyl 2,6-dimethoxy-4-(1-pyridin-2-yl-1,4-diazepan-5-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1OC)C2CCN(CCN2)C3=CC=CC=N3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1OC)C2CCN(CCN2)C3=CC=CC=N3)OC

InChI

InChI=1S/C23H31N3O4/c1-23(2,3)30-22(27)21-18(28-4)14-16(15-19(21)29-5)17-9-12-26(13-11-24-17)20-8-6-7-10-25-20/h6-8,10,14-15,17,24H,9,11-13H2,1-5H3