2-[4-[[4-(6-aminocarbonyl-1H-benzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[4-(6-aminocarbonyl-1H-benzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[4-(6-carbamoyl-1H-benzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[4-(6-carbamoyl-1H-benzimidazol-2-yl)-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[4-(6-carbamoyl-1H-benzimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[4-(6-carbamoyl-1H-benzimidazol-2-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)C3=NC4=C(N3)C=C(C=C4)C(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)CC(=O)O)C3=NC4=C(N3)C=C(C=C4)C(=O)N

InChI

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