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

Systemtic Name: N-(4-methanoylphenyl)butanamide; 2-phenylethanamine; 2-phenylethanoic acid Openeye Name: N-(4-formylphenyl)butanamide; 2-phenylacetic acid; 2-phenylethanamine CAS Name: N-(4-formylphenyl)butanamide; 2-phenylacetic acid; 2-phenylethanamine IUPAC Name: N-(4-formylphenyl)butanamide; 2-phenylacetic acid; 2-phenylethanamine Traditional Name: N-(4-formylphenyl)butyramide; phenethylamine; 2-phenylacetic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=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/C11H13NO2.C8H11N.C8H8O2/c1-2-3-11(14)12-10-6-4-9(8-13)5-7-10;9-7-6-8-4-2-1-3-5-8;9-8(10)6-7-4-2-1-3-5-7/h4-8H,2-3H2,1H3,(H,12,14);1-5H,6-7,9H2;1-5H,6H2,(H,9,10)