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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=C1)CCN2)CCCCCCC(CC(=O)O)C3=CN=CN=C3

Isomeric SMILES

CC1=C(N=C2C(=C1)CCN2)CCCCCCC(CC(=O)O)C3=CN=CN=C3

InChI

InChI=1S/C21H28N4O2/c1-15-10-17-8-9-24-21(17)25-19(15)7-5-3-2-4-6-16(11-20(26)27)18-12-22-14-23-13-18/h10,12-14,16H,2-9,11H2,1H3,(H,24,25)(H,26,27)