9-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)-3-(2-methylpyrimidin-5-yl)nonanoic acid

Systemtic Name: 9-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)-3-(2-methylpyrimidin-5-yl)nonanoic acid Openeye Name: 9-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)-3-(2-methylpyrimidin-5-yl)nonanoic acid CAS Name: 9-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)-3-(2-methyl-5-pyrimidinyl)nonanoic acid IUPAC Name: 9-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)-3-(2-methylpyrimidin-5-yl)nonanoic acid Traditional Name: 9-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-yl)-3-(2-methylpyrimidin-5-yl)pelargonic acid Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CCCCCCC2=NC3=C(CCN3)C=C2)CC(=O)O

Isomeric SMILES

CC1=NC=C(C=N1)C(CCCCCCC2=NC3=C(CCN3)C=C2)CC(=O)O

InChI

InChI=1S/C21H28N4O2/c1-15-23-13-18(14-24-15)17(12-20(26)27)6-4-2-3-5-7-19-9-8-16-10-11-22-21(16)25-19/h8-9,13-14,17H,2-7,10-12H2,1H3,(H,22,25)(H,26,27)