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

Systemtic Name: 4-chloranylbenzoic acid; N-(4-methanoylphenyl)ethanamide; 2-phenylethanamine Openeye Name: 4-chlorobenzoic acid; N-(4-formylphenyl)acetamide; 2-phenylethanamine CAS Name: 4-chlorobenzoic acid; N-(4-formylphenyl)acetamide; 2-phenylethanamine IUPAC Name: 4-chlorobenzoic acid; N-(4-formylphenyl)acetamide; 2-phenylethanamine Traditional Name: 4-chlorobenzoic acid; N-(4-formylphenyl)acetamide; phenethylamine Formula: C24H25ClN2O4 MolecularWeight: 440.9193

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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=C1C(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CCN.C1=CC(=CC=C1C(=O)O)Cl

InChI

InChI=1S/C9H9NO2.C8H11N.C7H5ClO2/c1-7(12)10-9-4-2-8(6-11)3-5-9;9-7-6-8-4-2-1-3-5-8;8-6-3-1-5(2-4-6)7(9)10/h2-6H,1H3,(H,10,12);1-5H,6-7,9H2;1-4H,(H,9,10)