ethyl 4-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(1H-benzimidazol-2-ylmethyl)piperazino]acetyl]amino]benzoic acid ethyl ester Formula: C23H27N5O3 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H27N5O3/c1-2-31-23(30)17-7-9-18(10-8-17)24-22(29)16-28-13-11-27(12-14-28)15-21-25-19-5-3-4-6-20(19)26-21/h3-10H,2,11-16H2,1H3,(H,24,29)(H,25,26)