2-[4-[(2-cyclopropyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-cyclopropyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-cyclopropyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-cyclopropyl-4-methyl-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-cyclopropyl-4-methylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-cyclopropyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=NC=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5CC5

Isomeric SMILES

CC1=C2C=C(N(C2=NC=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5CC5

InChI

InChI=1S/C25H22N2O2/c1-16-12-13-26-24-22(16)14-23(19-10-11-19)27(24)15-17-6-8-18(9-7-17)20-4-2-3-5-21(20)25(28)29/h2-9,12-14,19H,10-11,15H2,1H3,(H,28,29)