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

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

C1CC2=C(NC1O)N=C(C=C2)CCCCCCC(CC(=O)O)C3=CN=CN=C3

Isomeric SMILES

C1CC2=C(NC1O)N=C(C=C2)CCCCCCC(CC(=O)O)C3=CN=CN=C3

InChI

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