ethyl 2-[[4-azanylbutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-[[4-azanylbutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridine-3-carboxylate Openeye Name: ethyl 2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridyl)methyl]amino]methyl]pyridine-3-carboxylate CAS Name: 2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridinyl)methyl]amino]methyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-aminobutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridine-3-carboxylate Traditional Name: 2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridyl)methyl]amino]methyl]nicotinic acid ethyl ester Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)CN(CCCCN)CC2=C(C=C(C=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)CN(CCCCN)CC2=C(C=C(C=N2)C)C

InChI

InChI=1S/C21H30N4O2/c1-4-27-21(26)18-8-7-10-23-20(18)15-25(11-6-5-9-22)14-19-17(3)12-16(2)13-24-19/h7-8,10,12-13H,4-6,9,11,14-15,22H2,1-3H3