3-[cyano-(2-methoxyphenyl)methyl]-4-methyl-benzoic acid

Systemtic Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methyl-benzoic acid Openeye Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methyl-benzoic acid CAS Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methylbenzoic acid IUPAC Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methylbenzoic acid Traditional Name: 3-[cyano-(2-methoxyphenyl)methyl]-4-methyl-benzoic acid Formula: C17H15NO3 MolecularWeight: 281.3059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C(C#N)C2=CC=CC=C2OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C(C#N)C2=CC=CC=C2OC

InChI

InChI=1S/C17H15NO3/c1-11-7-8-12(17(19)20)9-14(11)15(10-18)13-5-3-4-6-16(13)21-2/h3-9,15H,1-2H3,(H,19,20)