4-cyano-3-phenylmethoxy-benzoic acid; 4-(hydroxymethyl)-2-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 4-cyano-3-phenylmethoxy-benzoic acid; 4-(hydroxymethyl)-2-phenylmethoxy-benzenecarbonitrile Openeye Name: 3-benzyloxy-4-cyano-benzoic acid; 2-benzyloxy-4-(hydroxymethyl)benzonitrile CAS Name: 4-cyano-3-phenylmethoxybenzoic acid; 4-(hydroxymethyl)-2-phenylmethoxybenzonitrile IUPAC Name: 4-cyano-3-phenylmethoxybenzoic acid; 4-(hydroxymethyl)-2-phenylmethoxybenzonitrile Traditional Name: 3-benzoxy-4-cyano-benzoic acid; 2-benzoxy-4-methylol-benzonitrile Formula: C30H24N2O5 MolecularWeight: 492.52196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)CO)C#N.C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)CO)C#N.C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=O)O)C#N

InChI

InChI=1S/C15H11NO3.C15H13NO2/c16-9-13-7-6-12(15(17)18)8-14(13)19-10-11-4-2-1-3-5-11;16-9-14-7-6-13(10-17)8-15(14)18-11-12-4-2-1-3-5-12/h1-8H,10H2,(H,17,18);1-8,17H,10-11H2