methyl benzoate; 5-(trifluoromethyl)-1-azacyclohexadecane

Systemtic Name: methyl benzoate; 5-(trifluoromethyl)-1-azacyclohexadecane Openeye Name: methyl benzoate; 5-(trifluoromethyl)-azacyclohexadecane CAS Name: benzoic acid methyl ester; 5-(trifluoromethyl)-azacyclohexadecane IUPAC Name: methyl benzoate; 5-(trifluoromethyl)-azacyclohexadecane Traditional Name: benzoic acid methyl ester; 5-(trifluoromethyl)-azacyclohexadecane Formula: C24H38F3NO2 MolecularWeight: 429.55923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1.C1CCCCCC(CCCNCCCCC1)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1.C1CCCCCC(CCCNCCCCC1)C(F)(F)F

InChI

InChI=1S/C16H30F3N.C8H8O2/c17-16(18,19)15-11-8-6-4-2-1-3-5-7-9-13-20-14-10-12-15;1-10-8(9)7-5-3-2-4-6-7/h15,20H,1-14H2;2-6H,1H3