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

Systemtic Name: methyl (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H29N3O5/c1-35-28(34)24(15-18-7-10-22(32)11-8-18)30-27(33)19-9-12-25-23(16-19)29-26(20-13-14-36-17-20)31(25)21-5-3-2-4-6-21/h7-14,16-17,21,24,32H,2-6,15H2,1H3,(H,30,33)/t24-/m0/s1