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

Systemtic Name: N-(4-methanoylphenyl)ethanamide; 2-phenylethanamine; 2-phenylethanoic acid Openeye Name: N-(4-formylphenyl)acetamide; 2-phenylacetic acid; 2-phenylethanamine CAS Name: N-(4-formylphenyl)acetamide; 2-phenylacetic acid; 2-phenylethanamine IUPAC Name: N-(4-formylphenyl)acetamide; 2-phenylacetic acid; 2-phenylethanamine Traditional Name: N-(4-formylphenyl)acetamide; phenethylamine; 2-phenylacetic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.C8H11N.C8H8O2/c1-7(12)10-9-4-2-8(6-11)3-5-9;9-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7/h2-6H,1H3,(H,10,12);1-5H,6-7,9H2;1-5H,6H2,(H,9,10)