tert-butyl 4-oxidanylidene-2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]-5H-pyrrolo[3,2-c]pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]-5H-pyrrolo[3,2-c]pyridine-1-carboxylate Openeye Name: tert-butyl 2-[(4-benzyloxycarbonyl-2-oxo-piperazin-1-yl)methyl]-4-oxo-5H-pyrrolo[3,2-c]pyridine-1-carboxylate CAS Name: 4-oxo-2-[(2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl)methyl]-5H-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-2-[(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)methyl]-5H-pyrrolo[3,2-c]pyridine-1-carboxylate Traditional Name: 2-[(4-carbobenzoxy-2-keto-piperazino)methyl]-4-keto-5H-pyrrolo[3,2-c]pyridine-1-carboxylic acid tert-butyl ester Formula: C25H28N4O6 MolecularWeight: 480.51302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C1CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4)C(=O)NC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C1CN3CCN(CC3=O)C(=O)OCC4=CC=CC=C4)C(=O)NC=C2

InChI

InChI=1S/C25H28N4O6/c1-25(2,3)35-24(33)29-18(13-19-20(29)9-10-26-22(19)31)14-27-11-12-28(15-21(27)30)23(32)34-16-17-7-5-4-6-8-17/h4-10,13H,11-12,14-16H2,1-3H3,(H,26,31)