tert-butyl 2-[4-[(2-propylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(2-propylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(2-propylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-propyl-1-pyrrolo[2,3-b]pyridinyl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(2-propylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-propylpyrrolo[2,3-b]pyridin-1-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C28H30N2O2 MolecularWeight: 426.55

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)N=CC=C2

Isomeric SMILES

CCCC1=CC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)N=CC=C2

InChI

InChI=1S/C28H30N2O2/c1-5-9-23-18-22-10-8-17-29-26(22)30(23)19-20-13-15-21(16-14-20)24-11-6-7-12-25(24)27(31)32-28(2,3)4/h6-8,10-18H,5,9,19H2,1-4H3