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

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

CC1CC2=C(N1)N=C(C=C2)CCCCCCC(CC(=O)O)C3=CN=CN=C3

Isomeric SMILES

CC1CC2=C(N1)N=C(C=C2)CCCCCCC(CC(=O)O)C3=CN=CN=C3

InChI

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