[aminocarbonyl-[4-[5-(4-fluoranylphenoxy)furan-2-yl]but-3-yn-2-yl]amino] benzoate

Systemtic Name: [aminocarbonyl-[4-[5-(4-fluoranylphenoxy)furan-2-yl]but-3-yn-2-yl]amino] benzoate Openeye Name: [carbamoyl-[3-[5-(4-fluorophenoxy)-2-furyl]-1-methyl-prop-2-ynyl]amino] benzoate CAS Name: benzoic acid [carbamoyl-[4-[5-(4-fluorophenoxy)-2-furanyl]but-3-yn-2-yl]amino] ester IUPAC Name: [carbamoyl-[4-[5-(4-fluorophenoxy)furan-2-yl]but-3-yn-2-yl]amino] benzoate Traditional Name: benzoic acid [carbamoyl-[3-[5-(4-fluorophenoxy)-2-furyl]-1-methyl-prop-2-ynyl]amino] ester Formula: C22H17FN2O5 MolecularWeight: 408.379183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)F)N(C(=O)N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C#CC1=CC=C(O1)OC2=CC=C(C=C2)F)N(C(=O)N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17FN2O5/c1-15(25(22(24)27)30-21(26)16-5-3-2-4-6-16)7-10-18-13-14-20(28-18)29-19-11-8-17(23)9-12-19/h2-6,8-9,11-15H,1H3,(H2,24,27)