2-[4-[(3S)-3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-4-methoxy-4-oxidanylidene-butyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(3S)-3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazol-5-yl]carbonylamino]-4-methoxy-4-oxidanylidene-butyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(3S)-3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-4-methoxy-4-oxo-butyl]phenoxy]acetic acid CAS Name: 2-[4-[(3S)-3-[[[1-cyclohexyl-2-(3-furanyl)-5-benzimidazolyl]-oxomethyl]amino]-4-methoxy-4-oxobutyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(3S)-3-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-4-methoxy-4-oxobutyl]phenoxy]acetic acid Traditional Name: 2-[4-[(3S)-3-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-4-keto-4-methoxy-butyl]phenoxy]acetic acid Formula: C31H33N3O7 MolecularWeight: 559.60962

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H33N3O7/c1-39-31(38)25(13-9-20-7-11-24(12-8-20)41-19-28(35)36)33-30(37)21-10-14-27-26(17-21)32-29(22-15-16-40-18-22)34(27)23-5-3-2-4-6-23/h7-8,10-12,14-18,23,25H,2-6,9,13,19H2,1H3,(H,33,37)(H,35,36)/t25-/m0/s1