methyl 4-[2-[4-(4-aminocarbonyl-1H-benzimidazol-2-yl)piperazin-1-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[4-(4-aminocarbonyl-1H-benzimidazol-2-yl)piperazin-1-yl]ethyl]benzoate Openeye Name: methyl 4-[2-[4-(4-carbamoyl-1H-benzimidazol-2-yl)piperazin-1-yl]ethyl]benzoate CAS Name: 4-[2-[4-(4-carbamoyl-1H-benzimidazol-2-yl)-1-piperazinyl]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-carbamoyl-1H-benzimidazol-2-yl)piperazin-1-yl]ethyl]benzoate Traditional Name: 4-[2-[4-(4-carbamoyl-1H-benzimidazol-2-yl)piperazino]ethyl]benzoic acid methyl ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCN2CCN(CC2)C3=NC4=C(C=CC=C4N3)C(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCN2CCN(CC2)C3=NC4=C(C=CC=C4N3)C(=O)N

InChI

InChI=1S/C22H25N5O3/c1-30-21(29)16-7-5-15(6-8-16)9-10-26-11-13-27(14-12-26)22-24-18-4-2-3-17(20(23)28)19(18)25-22/h2-8H,9-14H2,1H3,(H2,23,28)(H,24,25)