methyl 3-[2-[[4-azanylbutyl-[(3-methylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]benzoate

Systemtic Name: methyl 3-[2-[[4-azanylbutyl-[(3-methylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]benzoate Openeye Name: methyl 3-[2-[[4-aminobutyl-[(3-methyl-2-pyridyl)methyl]amino]methyl]-3-pyridyl]benzoate CAS Name: 3-[2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-3-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[[4-aminobutyl-[(3-methylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]benzoate Traditional Name: 3-[2-[[4-aminobutyl-[(3-methyl-2-pyridyl)methyl]amino]methyl]-3-pyridyl]benzoic acid methyl ester Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CN(CCCCN)CC2=C(C=CC=N2)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(N=CC=C1)CN(CCCCN)CC2=C(C=CC=N2)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C25H30N4O2/c1-19-8-6-13-27-23(19)17-29(15-4-3-12-26)18-24-22(11-7-14-28-24)20-9-5-10-21(16-20)25(30)31-2/h5-11,13-14,16H,3-4,12,15,17-18,26H2,1-2H3