(4-fluorophenyl) 2-ethyl-2-methyl-pentanoate; phenylmethanamine

Systemtic Name: (4-fluorophenyl) 2-ethyl-2-methyl-pentanoate; phenylmethanamine Openeye Name: (4-fluorophenyl) 2-ethyl-2-methyl-pentanoate; phenylmethanamine CAS Name: 2-ethyl-2-methylpentanoic acid (4-fluorophenyl) ester; phenylmethanamine IUPAC Name: (4-fluorophenyl) 2-ethyl-2-methylpentanoate; phenylmethanamine Traditional Name: benzylamine; 2-ethyl-2-methyl-valeric acid (4-fluorophenyl) ester Formula: C21H28FNO2 MolecularWeight: 345.450923

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CC)C(=O)OC1=CC=C(C=C1)F.C1=CC=C(C=C1)CN

Isomeric SMILES

CCCC(C)(CC)C(=O)OC1=CC=C(C=C1)F.C1=CC=C(C=C1)CN

InChI

InChI=1S/C14H19FO2.C7H9N/c1-4-10-14(3,5-2)13(16)17-12-8-6-11(15)7-9-12;8-6-7-4-2-1-3-5-7/h6-9H,4-5,10H2,1-3H3;1-5H,6,8H2