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

Systemtic Name: methyl 4-chloranyl-2-[[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4-chloro-benzoate CAS Name: 4-chloro-2-[[oxo-[4-[1-(phenylmethyl)-2-benzimidazolyl]-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4-chlorobenzoate Traditional Name: 2-[[4-(1-benzylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-4-chloro-benzoic acid methyl ester Formula: C27H26ClN5O3 MolecularWeight: 503.98004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClN5O3/c1-36-25(34)21-12-11-20(28)17-23(21)30-27(35)32-15-13-31(14-16-32)26-29-22-9-5-6-10-24(22)33(26)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H,30,35)