1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-methanamine; 2-methoxy-6-phenyl-benzoic acid

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-methanamine; 2-methoxy-6-phenyl-benzoic acid Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-methanamine; 2-methoxy-6-phenyl-benzoic acid CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine; 2-methoxy-6-phenylbenzoic acid IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine; 2-methoxy-6-phenylbenzoic acid Traditional Name: [3,5-bis(trifluoromethyl)benzyl]-methyl-amine; 2-methoxy-6-phenyl-benzoic acid Formula: C24H21F6NO3 MolecularWeight: 485.418859

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.COC1=CC=CC(=C1C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CNCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.COC1=CC=CC(=C1C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O3.C10H9F6N/c1-17-12-9-5-8-11(13(12)14(15)16)10-6-3-2-4-7-10;1-17-5-6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-9H,1H3,(H,15,16);2-4,17H,5H2,1H3