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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=CC(=C1)C#N)C(=O)O

Isomeric SMILES

COC(=O)CC(CC1=CC=CC(=C1)C#N)C(=O)O

InChI

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