4-(4-acetyloxyphenyl)-2-heptan-3-yl-4-methyl-cyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 4-(4-acetyloxyphenyl)-2-heptan-3-yl-4-methyl-cyclohexa-1,5-diene-1-carboxylate Openeye Name: 4-(4-acetoxyphenyl)-2-(1-ethylpentyl)-4-methyl-cyclohexa-1,5-diene-1-carboxylate CAS Name: 4-(4-acetyloxyphenyl)-2-heptan-3-yl-4-methyl-1-cyclohexa-1,5-dienecarboxylate IUPAC Name: 4-(4-acetyloxyphenyl)-2-heptan-3-yl-4-methylcyclohexa-1,5-diene-1-carboxylate Traditional Name: 4-(4-acetoxyphenyl)-2-(1-ethylpentyl)-4-methyl-cyclohexa-1,5-diene-1-carboxylate Formula: C23H29O4- MolecularWeight: 369.47396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C=CC(C1)(C)C2=CC=C(C=C2)OC(=O)C)C(=O)[O-]

Isomeric SMILES

CCCCC(CC)C1=C(C=CC(C1)(C)C2=CC=C(C=C2)OC(=O)C)C(=O)[O-]

InChI

InChI=1S/C23H30O4/c1-5-7-8-17(6-2)21-15-23(4,14-13-20(21)22(25)26)18-9-11-19(12-10-18)27-16(3)24/h9-14,17H,5-8,15H2,1-4H3,(H,25,26)/p-1