3-[4-[[4,5-di(propan-2-yl)furan-2-yl]carbonylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4,5-di(propan-2-yl)furan-2-yl]carbonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(4,5-diisopropylfuran-2-carbonyl)amino]phenyl]propanoic acid CAS Name: 3-[4-[[[4,5-di(propan-2-yl)-2-furanyl]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[[4,5-di(propan-2-yl)furan-2-carbonyl]amino]phenyl]propanoic acid Traditional Name: 3-[4-[(4,5-diisopropyl-2-furoyl)amino]phenyl]propionic acid Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(OC(=C1)C(=O)NC2=CC=C(C=C2)CCC(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=C(OC(=C1)C(=O)NC2=CC=C(C=C2)CCC(=O)O)C(C)C

InChI

InChI=1S/C20H25NO4/c1-12(2)16-11-17(25-19(16)13(3)4)20(24)21-15-8-5-14(6-9-15)7-10-18(22)23/h5-6,8-9,11-13H,7,10H2,1-4H3,(H,21,24)(H,22,23)