tert-butyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)carbonylamino]pyrrolo[2,3-b]pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1-phenylmethoxycarbonylpiperidin-4-yl)carbonylamino]pyrrolo[2,3-b]pyridine-1-carboxylate Openeye Name: tert-butyl 4-[(1-benzyloxycarbonylpiperidine-4-carbonyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylate CAS Name: 4-[[oxo-(1-phenylmethoxycarbonyl-4-piperidinyl)methyl]amino]-1-pyrrolo[2,3-b]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-phenylmethoxycarbonylpiperidine-4-carbonyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylate Traditional Name: 4-[(1-carbobenzoxyisonipecotoyl)amino]pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C(C=CN=C21)NC(=O)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C=CN=C21)NC(=O)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O5/c1-26(2,3)35-25(33)30-16-12-20-21(9-13-27-22(20)30)28-23(31)19-10-14-29(15-11-19)24(32)34-17-18-7-5-4-6-8-18/h4-9,12-13,16,19H,10-11,14-15,17H2,1-3H3,(H,27,28,31)