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

Systemtic Name: N-(4-methanoylphenyl)ethanamide; 2-(4-methoxyphenyl)ethanoic acid; 2-phenylethanamine Openeye Name: N-(4-formylphenyl)acetamide; 2-(4-methoxyphenyl)acetic acid; 2-phenylethanamine CAS Name: N-(4-formylphenyl)acetamide; 2-(4-methoxyphenyl)acetic acid; 2-phenylethanamine IUPAC Name: N-(4-formylphenyl)acetamide; 2-(4-methoxyphenyl)acetic acid; 2-phenylethanamine Traditional Name: N-(4-formylphenyl)acetamide; 2-(4-methoxyphenyl)acetic acid; phenethylamine Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.COC1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CCN

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.COC1=CC=C(C=C1)CC(=O)O.C1=CC=C(C=C1)CCN

InChI

InChI=1S/C9H9NO2.C9H10O3.C8H11N/c1-7(12)10-9-4-2-8(6-11)3-5-9;1-12-8-4-2-7(3-5-8)6-9(10)11;9-7-6-8-4-2-1-3-5-8/h2-6H,1H3,(H,10,12);2-5H,6H2,1H3,(H,10,11);1-5H,6-7,9H2