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

Systemtic Name: (3R)-5-oxidanylidene-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Openeye Name: (3R)-5-oxo-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid CAS Name: (3R)-5-oxo-3-(5-pyrimidinyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid IUPAC Name: (3R)-5-oxo-3-pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Traditional Name: (3R)-5-keto-3-(5-pyrimidyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pelargonic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCCCC(=O)C[C@H](CC(=O)O)C3=CN=CN=C3

InChI

InChI=1S/C21H26N4O3/c26-19(10-16(11-20(27)28)17-12-22-14-23-13-17)6-2-1-5-18-8-7-15-4-3-9-24-21(15)25-18/h7-8,12-14,16H,1-6,9-11H2,(H,24,25)(H,27,28)/t16-/m1/s1