2-[2-methyl-1-[(3-methylbenzotriazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[(3-methylbenzotriazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[(3-methylbenzotriazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-[(3-methyl-5-benzotriazolyl)methyl]-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-[(3-methylbenzotriazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[2-methyl-1-[(3-methylbenzotriazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC4=C(C=C3)N=NN4C)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC4=C(C=C3)N=NN4C)N=CC=C2)CC(=O)O

InChI

InChI=1S/C18H17N5O2/c1-11-14(9-17(24)25)13-4-3-7-19-18(13)23(11)10-12-5-6-15-16(8-12)22(2)21-20-15/h3-8H,9-10H2,1-2H3,(H,24,25)