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

Systemtic Name: 2-[1-[(3-methoxyphenyl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-[(3-methoxyphenyl)methyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-[(3-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-(1-m-anisyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl)acetic acid Formula: C18H18N2O3 MolecularWeight: 310.34712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3/c1-12-16(10-17(21)22)15-7-4-8-19-18(15)20(12)11-13-5-3-6-14(9-13)23-2/h3-9H,10-11H2,1-2H3,(H,21,22)