(phenylmethyl) 1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylate

Systemtic Name: (phenylmethyl) 1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylate Openeye Name: benzyl 1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylate CAS Name: 1-[3-[4-(2-ethoxyethyl)-1-piperazinyl]phenyl]-5-benzimidazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[3-[4-(2-ethoxyethyl)piperazino]phenyl]benzimidazole-5-carboxylic acid benzyl ester Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1CCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCOCCN1CCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O3/c1-2-35-18-17-31-13-15-32(16-14-31)25-9-6-10-26(20-25)33-22-30-27-19-24(11-12-28(27)33)29(34)36-21-23-7-4-3-5-8-23/h3-12,19-20,22H,2,13-18,21H2,1H3