methyl 3-(4-azidophenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(4-azidophenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-(4-azidophenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-(4-azidophenyl)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-azidophenyl)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-(4-azidophenyl)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)N=[N+]=[N-])NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)N=[N+]=[N-])NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C28H28N6O4/c1-37-28(36)24(15-18-7-10-21(11-8-18)32-33-29)31-27(35)19-9-12-25-23(16-19)30-26(20-13-14-38-17-20)34(25)22-5-3-2-4-6-22/h7-14,16-17,22,24H,2-6,15H2,1H3,(H,31,35)