1-[3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]phenyl]benzimidazole-5-carboxylate

Systemtic Name: 1-[3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]phenyl]benzimidazole-5-carboxylate Openeye Name: 1-[3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]phenyl]benzimidazole-5-carboxylate CAS Name: 1-[3-[(4-ethoxycarbonyl-1-piperazinyl)methyl]phenyl]-5-benzimidazolecarboxylate IUPAC Name: 1-[3-[(4-ethoxycarbonylpiperazin-1-yl)methyl]phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[3-[(4-carbethoxypiperazino)methyl]phenyl]benzimidazole-5-carboxylate Formula: C22H23N4O4- MolecularWeight: 407.44242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N3C=NC4=C3C=CC(=C4)C(=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=CC=C2)N3C=NC4=C3C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C22H24N4O4/c1-2-30-22(29)25-10-8-24(9-11-25)14-16-4-3-5-18(12-16)26-15-23-19-13-17(21(27)28)6-7-20(19)26/h3-7,12-13,15H,2,8-11,14H2,1H3,(H,27,28)/p-1