4-[1-adamantylcarbonyl-[1-(furan-3-yl)but-3-enyl]amino]benzoic acid

Systemtic Name: 4-[1-adamantylcarbonyl-[1-(furan-3-yl)but-3-enyl]amino]benzoic acid Openeye Name: 4-[adamantane-1-carbonyl-[1-(3-furyl)but-3-enyl]amino]benzoic acid CAS Name: 4-[[1-adamantyl(oxo)methyl]-[1-(3-furanyl)but-3-enyl]amino]benzoic acid IUPAC Name: 4-[adamantane-1-carbonyl-[1-(furan-3-yl)but-3-enyl]amino]benzoic acid Traditional Name: 4-[adamantane-1-carbonyl-[1-(3-furyl)but-3-enyl]amino]benzoic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C1=COC=C1)N(C2=CC=C(C=C2)C(=O)O)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C=CCC(C1=COC=C1)N(C2=CC=C(C=C2)C(=O)O)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO4/c1-2-3-23(21-8-9-31-16-21)27(22-6-4-20(5-7-22)24(28)29)25(30)26-13-17-10-18(14-26)12-19(11-17)15-26/h2,4-9,16-19,23H,1,3,10-15H2,(H,28,29)