[4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-ethoxy-phenyl] 2-methylbenzoate

Systemtic Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-ethoxy-phenyl] 2-methylbenzoate Openeye Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]-2-ethoxy-phenyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-ethoxyphenyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [4-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]-2-ethoxy-phenyl] ester Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C(C)(C)C)OC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C(C)(C)C)OC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C24H25NO4/c1-6-28-21-14-17(13-18(15-25)22(26)24(3,4)5)11-12-20(21)29-23(27)19-10-8-7-9-16(19)2/h7-14H,6H2,1-5H3/b18-13+