2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-propyl-carbonimidoyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-propyl-carbonimidoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-propyl-carbonimidoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylimino]butyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-propylcarbonimidoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-(N-homoveratryl-C-propyl-carbonimidoyl)-5-phenyl-cyclohexane-1,3-quinone Formula: C26H31NO4 MolecularWeight: 421.52864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NCCC1=CC(=C(C=C1)OC)OC)C2C(=O)CC(CC2=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(=NCCC1=CC(=C(C=C1)OC)OC)C2C(=O)CC(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C26H31NO4/c1-4-8-21(27-14-13-18-11-12-24(30-2)25(15-18)31-3)26-22(28)16-20(17-23(26)29)19-9-6-5-7-10-19/h5-7,9-12,15,20,26H,4,8,13-14,16-17H2,1-3H3