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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 3,4-dimethylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]phenyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic 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] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]phenyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NCCOC)C

InChI

InChI=1S/C22H22N2O4/c1-15-4-7-18(12-16(15)2)22(26)28-20-8-5-17(6-9-20)13-19(14-23)21(25)24-10-11-27-3/h4-9,12-13H,10-11H2,1-3H3,(H,24,25)/b19-13+