tert-butyl 4-[1,2-bis(methylamino)-2-pyridin-3-yl-ethyl]-2,6-dimethoxy-benzoate

Systemtic Name: tert-butyl 4-[1,2-bis(methylamino)-2-pyridin-3-yl-ethyl]-2,6-dimethoxy-benzoate Openeye Name: tert-butyl 4-[1,2-bis(methylamino)-2-(3-pyridyl)ethyl]-2,6-dimethoxy-benzoate CAS Name: 4-[1,2-bis(methylamino)-2-(3-pyridinyl)ethyl]-2,6-dimethoxybenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1,2-bis(methylamino)-2-pyridin-3-ylethyl]-2,6-dimethoxybenzoate Traditional Name: 4-[1,2-bis(methylamino)-2-(3-pyridyl)ethyl]-2,6-dimethoxy-benzoic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1OC)C(C(C2=CN=CC=C2)NC)NC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1OC)C(C(C2=CN=CC=C2)NC)NC)OC

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)29-21(26)18-16(27-6)11-15(12-17(18)28-7)20(24-5)19(23-4)14-9-8-10-25-13-14/h8-13,19-20,23-24H,1-7H3