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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCN=C(C)C2C(=O)CC(CC2=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCN=C(C)C2C(=O)CC(CC2=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C26H31NO4/c1-4-30-24-12-11-19(15-25(24)31-5-2)13-14-27-18(3)26-22(28)16-21(17-23(26)29)20-9-7-6-8-10-20/h6-12,15,21,26H,4-5,13-14,16-17H2,1-3H3