2-[4-[[4-(5-aminocarbonylbenzimidazol-1-yl)piperazin-1-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(5-aminocarbonylbenzimidazol-1-yl)piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(5-carbamoylbenzimidazol-1-yl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[4-(5-carbamoyl-1-benzimidazolyl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(5-carbamoylbenzimidazol-1-yl)piperazin-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[4-(5-carbamoylbenzimidazol-1-yl)piperazino]methyl]phenyl]acetic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)CC(=O)O)N3C=NC4=C3C=CC(=C4)C(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)CC(=O)O)N3C=NC4=C3C=CC(=C4)C(=O)N

InChI

InChI=1S/C21H23N5O3/c22-21(29)17-5-6-19-18(12-17)23-14-26(19)25-9-7-24(8-10-25)13-16-3-1-15(2-4-16)11-20(27)28/h1-6,12,14H,7-11,13H2,(H2,22,29)(H,27,28)