tert-butyl 2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-1-carboxylate Openeye Name: tert-butyl 2-[(4-benzyloxycarbonyl-2-oxo-piperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-1-carboxylate CAS Name: 2-[(2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl)methyl]-1-pyrrolo[2,3-c]pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-1-carboxylate Traditional Name: 2-[(4-carbobenzoxy-2-keto-piperazino)methyl]pyrrolo[2,3-c]pyridine-1-carboxylic acid tert-butyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC2=C1C=NC=C2)CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC2=C1C=NC=C2)CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O5/c1-25(2,3)34-24(32)29-20(13-19-9-10-26-14-21(19)29)15-27-11-12-28(16-22(27)30)23(31)33-17-18-7-5-4-6-8-18/h4-10,13-14H,11-12,15-17H2,1-3H3