(2-butanoyl-6-phenyl-phenyl) ethanoate; phenylmethanamine

Systemtic Name: (2-butanoyl-6-phenyl-phenyl) ethanoate; phenylmethanamine Openeye Name: (2-butanoyl-6-phenyl-phenyl) acetate; phenylmethanamine CAS Name: acetic acid [2-(1-oxobutyl)-6-phenylphenyl] ester; phenylmethanamine IUPAC Name: (2-butanoyl-6-phenylphenyl) acetate; phenylmethanamine Traditional Name: acetic acid (2-butyryl-6-phenyl-phenyl) ester; benzylamine Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC=CC(=C1OC(=O)C)C2=CC=CC=C2.C1=CC=C(C=C1)CN

Isomeric SMILES

CCCC(=O)C1=CC=CC(=C1OC(=O)C)C2=CC=CC=C2.C1=CC=C(C=C1)CN

InChI

InChI=1S/C18H18O3.C7H9N/c1-3-8-17(20)16-12-7-11-15(18(16)21-13(2)19)14-9-5-4-6-10-14;8-6-7-4-2-1-3-5-7/h4-7,9-12H,3,8H2,1-2H3;1-5H,6,8H2