methyl 2-(4-butylphenyl)carbonylcyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl 2-(4-butylphenyl)carbonylcyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl 2-(4-butylbenzoyl)cyclohexa-1,3-diene-1-carboxylate CAS Name: 2-[(4-butylphenyl)-oxomethyl]-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-butylbenzoyl)cyclohexa-1,3-diene-1-carboxylate Traditional Name: 2-(4-butylbenzoyl)cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C19H22O3 MolecularWeight: 298.37618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C2=C(CCC=C2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)C2=C(CCC=C2)C(=O)OC

InChI

InChI=1S/C19H22O3/c1-3-4-7-14-10-12-15(13-11-14)18(20)16-8-5-6-9-17(16)19(21)22-2/h5,8,10-13H,3-4,6-7,9H2,1-2H3