tert-butyl 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoate

Systemtic Name: tert-butyl 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoate Openeye Name: tert-butyl 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoate CAS Name: 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoate Traditional Name: 2-phenyl-5-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)benzoic acid tert-butyl ester Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=CC(=C1)CC2=C3C=CNC3=NC=C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=CC(=C1)CC2=C3C=CNC3=NC=C2)C4=CC=CC=C4

InChI

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