[4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-propan-2-yloxy-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-isopropoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-propan-2-yloxyprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-isopropoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-14(2)28-22(25)17(13-23)11-15-5-10-19(20(12-15)27-4)29-21(24)16-6-8-18(26-3)9-7-16/h5-12,14H,1-4H3/b17-11+