3-(4-acetyloxyphenyl)-2-(3-cyanopropanoylamino)propanoic acid

Systemtic Name: 3-(4-acetyloxyphenyl)-2-(3-cyanopropanoylamino)propanoic acid Openeye Name: 3-(4-acetoxyphenyl)-2-(3-cyanopropanoylamino)propanoic acid CAS Name: 3-(4-acetyloxyphenyl)-2-[(3-cyano-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(4-acetyloxyphenyl)-2-(3-cyanopropanoylamino)propanoic acid Traditional Name: 3-(4-acetoxyphenyl)-2-(3-cyanopropanoylamino)propionic acid Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC#N

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC#N

InChI

InChI=1S/C15H16N2O5/c1-10(18)22-12-6-4-11(5-7-12)9-13(15(20)21)17-14(19)3-2-8-16/h4-7,13H,2-3,9H2,1H3,(H,17,19)(H,20,21)