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

Systemtic Name: 2-[2-methyl-1-(1-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(1-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-(1-phenylethyl)-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-(1-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[2-methyl-1-(1-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(C)C3=CC=CC=C3)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(C)C3=CC=CC=C3)N=CC=C2)CC(=O)O

InChI

InChI=1S/C18H18N2O2/c1-12(14-7-4-3-5-8-14)20-13(2)16(11-17(21)22)15-9-6-10-19-18(15)20/h3-10,12H,11H2,1-2H3,(H,21,22)