N-(4-methanoylphenyl)ethanamide; 4-methoxybenzoic acid; 2-phenylethanamine

Systemtic Name: N-(4-methanoylphenyl)ethanamide; 4-methoxybenzoic acid; 2-phenylethanamine Openeye Name: N-(4-formylphenyl)acetamide; 4-methoxybenzoic acid; 2-phenylethanamine CAS Name: N-(4-formylphenyl)acetamide; 4-methoxybenzoic acid; 2-phenylethanamine IUPAC Name: N-(4-formylphenyl)acetamide; 4-methoxybenzoic acid; 2-phenylethanamine Traditional Name: N-(4-formylphenyl)acetamide; p-anisic acid; phenethylamine Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.C8H11N.C8H8O3/c1-7(12)10-9-4-2-8(6-11)3-5-9;9-7-6-8-4-2-1-3-5-8;1-11-7-4-2-6(3-5-7)8(9)10/h2-6H,1H3,(H,10,12);1-5H,6-7,9H2;2-5H,1H3,(H,9,10)