ethyl 3-[[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-[1-(phenylmethyl)-2-benzimidazolyl]-1-piperazinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O3/c1-2-36-26(34)22-11-8-12-23(19-22)29-28(35)32-17-15-31(16-18-32)27-30-24-13-6-7-14-25(24)33(27)20-21-9-4-3-5-10-21/h3-14,19H,2,15-18,20H2,1H3,(H,29,35)