[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3,5-dimethoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3,5-dimethoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2)OC)OC)C#N

Isomeric SMILES

COCCNC(=O)/C(=C/C1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2)OC)OC)/C#N

InChI

InChI=1S/C22H22N2O6/c1-27-9-8-24-21(25)17(14-23)10-15-4-6-18(7-5-15)30-22(26)16-11-19(28-2)13-20(12-16)29-3/h4-7,10-13H,8-9H2,1-3H3,(H,24,25)/b17-10+