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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)C(CCCCCC(CC(=O)O)C3=CN=CN=C3)O

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)C(CCCCCC(CC(=O)O)C3=CN=CN=C3)O

InChI

InChI=1S/C21H28N4O3/c26-19(18-9-8-15-6-4-10-24-21(15)25-18)7-3-1-2-5-16(11-20(27)28)17-12-22-14-23-13-17/h8-9,12-14,16,19,26H,1-7,10-11H2,(H,24,25)(H,27,28)