2-acetamidopent-4-enoic acid; N-(phenylmethyl)ethanamide

Systemtic Name: 2-acetamidopent-4-enoic acid; N-(phenylmethyl)ethanamide Openeye Name: 2-acetamidopent-4-enoic acid; N-benzylacetamide CAS Name: 2-acetamido-4-pentenoic acid; N-(phenylmethyl)acetamide IUPAC Name: 2-acetamidopent-4-enoic acid; N-benzylacetamide Traditional Name: 2-acetamidopent-4-enoic acid; N-benzylacetamide Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=CC=C1.CC(=O)NC(CC=C)C(=O)O

Isomeric SMILES

CC(=O)NCC1=CC=CC=C1.CC(=O)NC(CC=C)C(=O)O

InChI

InChI=1S/C9H11NO.C7H11NO3/c1-8(11)10-7-9-5-3-2-4-6-9;1-3-4-6(7(10)11)8-5(2)9/h2-6H,7H2,1H3,(H,10,11);3,6H,1,4H2,2H3,(H,8,9)(H,10,11)