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

Systemtic Name: 2-[2-methyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-(m-tolylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[2-methyl-1-[(3-methylphenyl)methyl]-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[2-methyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[2-methyl-1-(3-methylbenzyl)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=CC(=CC=C1)CN2C(=C(C3=C2N=CC=C3)CC(=O)O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C(=C(C3=C2N=CC=C3)CC(=O)O)C

InChI

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