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

Systemtic Name: 2-[4-[(2-butyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-methyl-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-methylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-4-methyl-pyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

Isomeric SMILES

CCCCC1=CC2=C(C=CN=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C

InChI

InChI=1S/C26H26N2O2/c1-3-4-7-21-16-24-18(2)14-15-27-25(24)28(21)17-19-10-12-20(13-11-19)22-8-5-6-9-23(22)26(29)30/h5-6,8-16H,3-4,7,17H2,1-2H3,(H,29,30)