methyl 4-[[2-[(Z)-2-cyano-4-methyl-3-oxidanylidene-pent-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(Z)-2-cyano-4-methyl-3-oxidanylidene-pent-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(Z)-2-cyano-4-methyl-3-oxo-pent-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(Z)-2-cyano-4-methyl-3-oxopent-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(Z)-2-cyano-4-methyl-3-oxopent-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(Z)-2-cyano-3-keto-4-methyl-pent-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)C#N

Isomeric SMILES

CC(C)C(=O)/C(=C\C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC)/C#N

InChI

InChI=1S/C22H21NO4/c1-15(2)21(24)19(13-23)12-18-6-4-5-7-20(18)27-14-16-8-10-17(11-9-16)22(25)26-3/h4-12,15H,14H2,1-3H3/b19-12-