2-methylbutyl 6-[4-(3-fluoranyl-4-prop-1-ynyl-phenyl)phenyl]carbonyloxynaphthalene-2-carboxylate

Systemtic Name: 2-methylbutyl 6-[4-(3-fluoranyl-4-prop-1-ynyl-phenyl)phenyl]carbonyloxynaphthalene-2-carboxylate Openeye Name: 2-methylbutyl 6-[4-(3-fluoro-4-prop-1-ynyl-phenyl)benzoyl]oxynaphthalene-2-carboxylate CAS Name: 6-[[4-(3-fluoro-4-prop-1-ynylphenyl)phenyl]-oxomethoxy]-2-naphthalenecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 6-[4-(3-fluoro-4-prop-1-ynylphenyl)benzoyl]oxynaphthalene-2-carboxylate Traditional Name: 6-[4-(3-fluoro-4-prop-1-ynyl-phenyl)benzoyl]oxynaphthalene-2-carboxylic acid 2-methylbutyl ester Formula: C32H27FO4 MolecularWeight: 494.552783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4)C#CC)F

Isomeric SMILES

CCC(C)COC(=O)C1=CC2=C(C=C1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)C4=CC(=C(C=C4)C#CC)F

InChI

InChI=1S/C32H27FO4/c1-4-6-23-9-12-27(19-30(23)33)22-7-10-24(11-8-22)32(35)37-29-16-15-25-17-28(14-13-26(25)18-29)31(34)36-20-21(3)5-2/h7-19,21H,5,20H2,1-3H3