5,5-bis(fluoranyl)-6-methyl-1-phenyl-oct-7-en-4-one; (phenylmethyl) 2-azanylethanoate

Systemtic Name: 5,5-bis(fluoranyl)-6-methyl-1-phenyl-oct-7-en-4-one; (phenylmethyl) 2-azanylethanoate Openeye Name: benzyl 2-aminoacetate; 5,5-difluoro-6-methyl-1-phenyl-oct-7-en-4-one CAS Name: 2-aminoacetic acid (phenylmethyl) ester; 5,5-difluoro-6-methyl-1-phenyl-7-octen-4-one IUPAC Name: benzyl 2-aminoacetate; 5,5-difluoro-6-methyl-1-phenyloct-7-en-4-one Traditional Name: 2-aminoacetic acid benzyl ester; 5,5-difluoro-6-methyl-1-phenyl-oct-7-en-4-one Formula: C24H29F2NO3 MolecularWeight: 417.488766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C(=O)CCCC1=CC=CC=C1)(F)F.C1=CC=C(C=C1)COC(=O)CN

Isomeric SMILES

CC(C=C)C(C(=O)CCCC1=CC=CC=C1)(F)F.C1=CC=C(C=C1)COC(=O)CN

InChI

InChI=1S/C15H18F2O.C9H11NO2/c1-3-12(2)15(16,17)14(18)11-7-10-13-8-5-4-6-9-13;10-6-9(11)12-7-8-4-2-1-3-5-8/h3-6,8-9,12H,1,7,10-11H2,2H3;1-5H,6-7,10H2