azane; N-(4-methanoylphenyl)ethanamide; 2-phenylethanoic acid

Systemtic Name: azane; N-(4-methanoylphenyl)ethanamide; 2-phenylethanoic acid Openeye Name: ammonia; N-(4-formylphenyl)acetamide; 2-phenylacetic acid CAS Name: ammonia; N-(4-formylphenyl)acetamide; 2-phenylacetic acid IUPAC Name: azane; N-(4-formylphenyl)acetamide; 2-phenylacetic acid Traditional Name: ammonia; N-(4-formylphenyl)acetamide; 2-phenylacetic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CC(=O)O.N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C=O.C1=CC=C(C=C1)CC(=O)O.N

InChI

InChI=1S/C9H9NO2.C8H8O2.H3N/c1-7(12)10-9-4-2-8(6-11)3-5-9;9-8(10)6-7-4-2-1-3-5-7;/h2-6H,1H3,(H,10,12);1-5H,6H2,(H,9,10);1H3