4-[2-[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]-1H-benzimidazol-5-yl]ethyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[2-oxidanylidene-3-[(phenylmethyl)carbamoyl]-1H-benzimidazol-5-yl]ethyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[3-(benzylcarbamoyl)-2-oxo-1H-benzimidazol-5-yl]ethyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[2-oxo-3-[oxo-[(phenylmethyl)amino]methyl]-1H-benzimidazol-5-yl]ethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[3-(benzylcarbamoyl)-2-oxo-1H-benzimidazol-5-yl]ethyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[3-(benzylcarbamoyl)-2-keto-1H-benzimidazol-5-yl]ethyl]piperazine-1-carboxylic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=O)N3C(=O)NCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)NC(=O)N3C(=O)NCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H25N5O4/c28-20(23-15-17-4-2-1-3-5-17)27-19-14-16(6-7-18(19)24-21(27)29)8-9-25-10-12-26(13-11-25)22(30)31/h1-7,14H,8-13,15H2,(H,23,28)(H,24,29)(H,30,31)