ethyl 3-[[[6-(2-azanylethylcarbamoyl)pyridin-3-yl]amino]methyl]benzoate

Systemtic Name: ethyl 3-[[[6-(2-azanylethylcarbamoyl)pyridin-3-yl]amino]methyl]benzoate Openeye Name: ethyl 3-[[[6-(2-aminoethylcarbamoyl)-3-pyridyl]amino]methyl]benzoate CAS Name: 3-[[[6-[(2-aminoethylamino)-oxomethyl]-3-pyridinyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[[6-(2-aminoethylcarbamoyl)pyridin-3-yl]amino]methyl]benzoate Traditional Name: 3-[[[6-(2-aminoethylcarbamoyl)-3-pyridyl]amino]methyl]benzoic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CNC2=CN=C(C=C2)C(=O)NCCN

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CNC2=CN=C(C=C2)C(=O)NCCN

InChI

InChI=1S/C18H22N4O3/c1-2-25-18(24)14-5-3-4-13(10-14)11-21-15-6-7-16(22-12-15)17(23)20-9-8-19/h3-7,10,12,21H,2,8-9,11,19H2,1H3,(H,20,23)