(3S)-9-[6-(ethylamino)pyridin-2-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid

Systemtic Name: (3S)-9-[6-(ethylamino)pyridin-2-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid Openeye Name: (3S)-9-[6-(ethylamino)-2-pyridyl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid CAS Name: (3S)-9-[6-(ethylamino)-2-pyridinyl]-3-(2-methoxy-5-pyrimidinyl)nonanoic acid IUPAC Name: (3S)-9-[6-(ethylamino)pyridin-2-yl]-3-(2-methoxypyrimidin-5-yl)nonanoic acid Traditional Name: (3S)-9-[6-(ethylamino)-2-pyridyl]-3-(2-methoxypyrimidin-5-yl)pelargonic acid Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC(=N1)CCCCCCC(CC(=O)O)C2=CN=C(N=C2)OC

Isomeric SMILES

CCNC1=CC=CC(=N1)CCCCCC[C@@H](CC(=O)O)C2=CN=C(N=C2)OC

InChI

InChI=1S/C21H30N4O3/c1-3-22-19-12-8-11-18(25-19)10-7-5-4-6-9-16(13-20(26)27)17-14-23-21(28-2)24-15-17/h8,11-12,14-16H,3-7,9-10,13H2,1-2H3,(H,22,25)(H,26,27)/t16-/m0/s1