3-[(2-cyanophenyl)methyl]-4-methoxy-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-cyanophenyl)methyl]-4-methoxy-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-cyanophenyl)methyl]-4-methoxy-4-oxo-butanoic acid CAS Name: 3-[(2-cyanophenyl)methyl]-4-methoxy-4-oxobutanoic acid IUPAC Name: 3-[(2-cyanophenyl)methyl]-4-methoxy-4-oxobutanoic acid Traditional Name: 3-(2-cyanobenzyl)-4-keto-4-methoxy-butyric acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1C#N)CC(=O)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1C#N)CC(=O)O

InChI

InChI=1S/C13H13NO4/c1-18-13(17)11(7-12(15)16)6-9-4-2-3-5-10(9)8-14/h2-5,11H,6-7H2,1H3,(H,15,16)