2-(4-bromophenyl)ethanoic acid; N-(4-methanoylphenyl)ethanamide; 2-phenylethanamine

Systemtic Name: 2-(4-bromophenyl)ethanoic acid; N-(4-methanoylphenyl)ethanamide; 2-phenylethanamine Openeye Name: 2-(4-bromophenyl)acetic acid; N-(4-formylphenyl)acetamide; 2-phenylethanamine CAS Name: 2-(4-bromophenyl)acetic acid; N-(4-formylphenyl)acetamide; 2-phenylethanamine IUPAC Name: 2-(4-bromophenyl)acetic acid; N-(4-formylphenyl)acetamide; 2-phenylethanamine Traditional Name: 2-(4-bromophenyl)acetic acid; N-(4-formylphenyl)acetamide; phenethylamine Formula: C25H27BrN2O4 MolecularWeight: 499.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN.C1=CC(=CC=C1CC(=O)O)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN.C1=CC(=CC=C1CC(=O)O)Br

InChI

InChI=1S/C9H9NO2.C8H7BrO2.C8H11N/c1-7(12)10-9-4-2-8(6-11)3-5-9;9-7-3-1-6(2-4-7)5-8(10)11;9-7-6-8-4-2-1-3-5-8/h2-6H,1H3,(H,10,12);1-4H,5H2,(H,10,11);1-5H,6-7,9H2