9-(5-oxidanyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-pyrimidin-5-yl-nonanoic acid

Systemtic Name: 9-(5-oxidanyl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-pyrimidin-5-yl-nonanoic acid Openeye Name: 9-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-pyrimidin-5-yl-nonanoic acid CAS Name: 9-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-(5-pyrimidinyl)nonanoic acid IUPAC Name: 9-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-pyrimidin-5-ylnonanoic acid Traditional Name: 9-(5-hydroxy-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)-3-(5-pyrimidyl)pelargonic acid Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(C1O)C=CC(=N2)CCCCCCC(CC(=O)O)C3=CN=CN=C3

Isomeric SMILES

C1CNC2=C(C1O)C=CC(=N2)CCCCCCC(CC(=O)O)C3=CN=CN=C3

InChI

InChI=1S/C21H28N4O3/c26-19-9-10-24-21-18(19)8-7-17(25-21)6-4-2-1-3-5-15(11-20(27)28)16-12-22-14-23-13-16/h7-8,12-15,19,26H,1-6,9-11H2,(H,24,25)(H,27,28)