methyl 4-[[5-[1-(1-adamantyl)propylcarbamoyl]furan-2-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[5-[1-(1-adamantyl)propylcarbamoyl]furan-2-yl]methoxy]benzoate Openeye Name: methyl 4-[[5-[1-(1-adamantyl)propylcarbamoyl]-2-furyl]methoxy]benzoate CAS Name: 4-[[5-[[1-(1-adamantyl)propylamino]-oxomethyl]-2-furanyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[1-(1-adamantyl)propylcarbamoyl]furan-2-yl]methoxy]benzoate Traditional Name: 4-[[5-[1-(1-adamantyl)propylcarbamoyl]-2-furyl]methoxy]benzoic acid methyl ester Formula: C27H33NO5 MolecularWeight: 451.55462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(O4)COC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(O4)COC5=CC=C(C=C5)C(=O)OC

InChI

InChI=1S/C27H33NO5/c1-3-24(27-13-17-10-18(14-27)12-19(11-17)15-27)28-25(29)23-9-8-22(33-23)16-32-21-6-4-20(5-7-21)26(30)31-2/h4-9,17-19,24H,3,10-16H2,1-2H3,(H,28,29)