2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]pyrrolo[3,2-c]pyridine-1-carboxylic acid

Systemtic Name: 2-[(2-oxidanylidene-4-phenylmethoxycarbonyl-piperazin-1-yl)methyl]pyrrolo[3,2-c]pyridine-1-carboxylic acid Openeye Name: 2-[(4-benzyloxycarbonyl-2-oxo-piperazin-1-yl)methyl]pyrrolo[3,2-c]pyridine-1-carboxylic acid CAS Name: 2-[(2-oxo-4-phenylmethoxycarbonyl-1-piperazinyl)methyl]-1-pyrrolo[3,2-c]pyridinecarboxylic acid IUPAC Name: 2-[(2-oxo-4-phenylmethoxycarbonylpiperazin-1-yl)methyl]pyrrolo[3,2-c]pyridine-1-carboxylic acid Traditional Name: 2-[(4-carbobenzoxy-2-keto-piperazino)methyl]pyrrolo[3,2-c]pyridine-1-carboxylic acid Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)CC3=CC4=C(N3C(=O)O)C=CN=C4

Isomeric SMILES

C1CN(C(=O)CN1C(=O)OCC2=CC=CC=C2)CC3=CC4=C(N3C(=O)O)C=CN=C4

InChI

InChI=1S/C21H20N4O5/c26-19-13-24(21(29)30-14-15-4-2-1-3-5-15)9-8-23(19)12-17-10-16-11-22-7-6-18(16)25(17)20(27)28/h1-7,10-11H,8-9,12-14H2,(H,27,28)