ethyl 4-[[4-[(6-azanyl-5-methyl-pyridin-3-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxy-benzoate

Systemtic Name: ethyl 4-[[4-[(6-azanyl-5-methyl-pyridin-3-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxy-benzoate Openeye Name: ethyl 4-[[4-[(6-amino-5-methyl-3-pyridyl)amino]-1-piperidyl]methyl]-2,6-diethoxy-benzoate CAS Name: 4-[[4-[(6-amino-5-methyl-3-pyridinyl)amino]-1-piperidinyl]methyl]-2,6-diethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(6-amino-5-methylpyridin-3-yl)amino]piperidin-1-yl]methyl]-2,6-diethoxybenzoate Traditional Name: 4-[[4-[(6-amino-5-methyl-3-pyridyl)amino]piperidino]methyl]-2,6-diethoxy-benzoic acid ethyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C(=O)OCC)OCC)CN2CCC(CC2)NC3=CN=C(C(=C3)C)N

Isomeric SMILES

CCOC1=CC(=CC(=C1C(=O)OCC)OCC)CN2CCC(CC2)NC3=CN=C(C(=C3)C)N

InChI

InChI=1S/C25H36N4O4/c1-5-31-21-13-18(14-22(32-6-2)23(21)25(30)33-7-3)16-29-10-8-19(9-11-29)28-20-12-17(4)24(26)27-15-20/h12-15,19,28H,5-11,16H2,1-4H3,(H2,26,27)