2-[1-[(4-cyanophenyl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[1-[(4-cyanophenyl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-[(4-cyanophenyl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-[(4-cyanophenyl)methyl]-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-[(4-cyanophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-(4-cyanobenzyl)-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)C#N)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)C#N)N=CC=C2)CC(=O)O

InChI

InChI=1S/C18H15N3O2/c1-12-16(9-17(22)23)15-3-2-8-20-18(15)21(12)11-14-6-4-13(10-19)5-7-14/h2-8H,9,11H2,1H3,(H,22,23)