2-[4-[3-(5-methoxycarbonylbenzimidazol-1-yl)phenyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(5-methoxycarbonylbenzimidazol-1-yl)phenyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(5-methoxycarbonylbenzimidazol-1-yl)phenyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(5-methoxycarbonyl-1-benzimidazolyl)phenyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(5-methoxycarbonylbenzimidazol-1-yl)phenyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(5-carbomethoxybenzimidazol-1-yl)phenyl]piperazino]acetic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=CC=C3)N4CCN(CC4)CC(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(C=N2)C3=CC(=CC=C3)N4CCN(CC4)CC(=O)O

InChI

InChI=1S/C21H22N4O4/c1-29-21(28)15-5-6-19-18(11-15)22-14-25(19)17-4-2-3-16(12-17)24-9-7-23(8-10-24)13-20(26)27/h2-6,11-12,14H,7-10,13H2,1H3,(H,26,27)