4-cyano-2-ethoxycarbonyl-3-(4-ethylphenyl)butanoic acid

Systemtic Name: 4-cyano-2-ethoxycarbonyl-3-(4-ethylphenyl)butanoic acid Openeye Name: 4-cyano-2-ethoxycarbonyl-3-(4-ethylphenyl)butanoic acid CAS Name: 4-cyano-2-ethoxycarbonyl-3-(4-ethylphenyl)butanoic acid IUPAC Name: 4-cyano-2-ethoxycarbonyl-3-(4-ethylphenyl)butanoic acid Traditional Name: 2-carbethoxy-4-cyano-3-(4-ethylphenyl)butyric acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CC#N)C(C(=O)O)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(CC#N)C(C(=O)O)C(=O)OCC

InChI

InChI=1S/C16H19NO4/c1-3-11-5-7-12(8-6-11)13(9-10-17)14(15(18)19)16(20)21-4-2/h5-8,13-14H,3-4,9H2,1-2H3,(H,18,19)