5-(3,4-dimethoxyphenyl)-2-[(phenylmethyl)iminomethyl]cyclohexane-1,3-dione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-[(phenylmethyl)iminomethyl]cyclohexane-1,3-dione Openeye Name: 2-(benzyliminomethyl)-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione CAS Name: 5-(3,4-dimethoxyphenyl)-2-[(phenylmethyl)iminomethyl]cyclohexane-1,3-dione IUPAC Name: 2-(benzyliminomethyl)-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-(benzyliminomethyl)-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-quinone Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C(C(=O)C2)C=NCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H23NO4/c1-26-21-9-8-16(12-22(21)27-2)17-10-19(24)18(20(25)11-17)14-23-13-15-6-4-3-5-7-15/h3-9,12,14,17-18H,10-11,13H2,1-2H3