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

Systemtic Name: 2-[4-[(4-methyl-2-propyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-methyl-2-propyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-methyl-2-propyl-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-methyl-2-propylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-methyl-2-propyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CCCC1=CC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C25H24N2O2/c1-3-6-20-15-23-17(2)13-14-26-24(23)27(20)16-18-9-11-19(12-10-18)21-7-4-5-8-22(21)25(28)29/h4-5,7-15H,3,6,16H2,1-2H3,(H,28,29)