(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(6-morpholino-3-pyridyl)methylamino]benzoate CAS Name: 2-[[6-(4-morpholinyl)-3-pyridinyl]methylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(6-morpholin-4-ylpyridin-3-yl)methylamino]benzoate Traditional Name: 2-[(6-morpholino-3-pyridyl)methylamino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NCC2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NCC2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C23H29N3O4/c1-23(2,3)20(27)16-30-22(28)18-6-4-5-7-19(18)24-14-17-8-9-21(25-15-17)26-10-12-29-13-11-26/h4-9,15,24H,10-14,16H2,1-3H3