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

Systemtic Name: methyl 3-[[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O3/c1-35-25(33)21-10-7-11-22(18-21)28-27(34)31-16-14-30(15-17-31)26-29-23-12-5-6-13-24(23)32(26)19-20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3,(H,28,34)