methyl (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-4-(4-hydroxyphenyl)butanoate

Systemtic Name: methyl (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-4-(4-hydroxyphenyl)butanoate Openeye Name: methyl (2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-4-(4-hydroxyphenyl)butanoate CAS Name: (2S)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-4-(4-hydroxyphenyl)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-4-(4-hydroxyphenyl)butanoate Traditional Name: (2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-4-(4-hydroxyphenyl)butyric acid methyl ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

Isomeric SMILES

COC(=O)[C@H](CCC1=CC=C(C=C1)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5

InChI

InChI=1S/C29H31N3O5/c1-36-29(35)24(13-9-19-7-11-23(33)12-8-19)31-28(34)20-10-14-26-25(17-20)30-27(21-15-16-37-18-21)32(26)22-5-3-2-4-6-22/h7-8,10-12,14-18,22,24,33H,2-6,9,13H2,1H3,(H,31,34)/t24-/m0/s1