2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(3-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-3-(3-hydroxyphenyl)propanoic acid Openeye Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(3-hydroxyphenyl)propanoic acid CAS Name: 2-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-3-(3-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(3-hydroxyphenyl)propanoic acid Traditional Name: 2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(3-hydroxyphenyl)propionic acid Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC(=CC=C4)O)C(=O)O)N=C2C5=COC=C5

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)NC(CC4=CC(=CC=C4)O)C(=O)O)N=C2C5=COC=C5

InChI

InChI=1S/C27H27N3O5/c31-21-8-4-5-17(13-21)14-23(27(33)34)29-26(32)18-9-10-24-22(15-18)28-25(19-11-12-35-16-19)30(24)20-6-2-1-3-7-20/h4-5,8-13,15-16,20,23,31H,1-3,6-7,14H2,(H,29,32)(H,33,34)