2-[1,1-bis(azanyl)propyl]-6-pyridin-3-yl-1,4-dihydropyridine-3,4-dicarboxylic acid

Systemtic Name: 2-[1,1-bis(azanyl)propyl]-6-pyridin-3-yl-1,4-dihydropyridine-3,4-dicarboxylic acid Openeye Name: 2-(1,1-diaminopropyl)-6-(3-pyridyl)-1,4-dihydropyridine-3,4-dicarboxylic acid CAS Name: 2-(1,1-diaminopropyl)-6-(3-pyridinyl)-1,4-dihydropyridine-3,4-dicarboxylic acid IUPAC Name: 2-(1,1-diaminopropyl)-6-pyridin-3-yl-1,4-dihydropyridine-3,4-dicarboxylic acid Traditional Name: 2-(1,1-diaminopropyl)-6-(3-pyridyl)-1,4-dihydropyridine-3,4-dicarboxylic acid Formula: C15H18N4O4 MolecularWeight: 318.32782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(C=C(N1)C2=CN=CC=C2)C(=O)O)C(=O)O)(N)N

Isomeric SMILES

CCC(C1=C(C(C=C(N1)C2=CN=CC=C2)C(=O)O)C(=O)O)(N)N

InChI

InChI=1S/C15H18N4O4/c1-2-15(16,17)12-11(14(22)23)9(13(20)21)6-10(19-12)8-4-3-5-18-7-8/h3-7,9,19H,2,16-17H2,1H3,(H,20,21)(H,22,23)