[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4/c1-34-22-10-7-19(8-11-22)26-28-23-12-9-20(17-24(23)29-26)27(33)35-18-25(32)31-15-13-30(14-16-31)21-5-3-2-4-6-21/h2-12,17H,13-16,18H2,1H3,(H,28,29)