(1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate

Systemtic Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate Openeye Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate CAS Name: 4-(1-ethoxyethyl)benzoic acid (1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-ethoxyethyl)benzoate Traditional Name: 4-(1-ethoxyethyl)benzoic acid (1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C28H34O3 MolecularWeight: 418.56776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCC

Isomeric SMILES

CCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCC

InChI

InChI=1S/C28H34O3/c1-4-6-10-19-28(20-17-25(18-21-28)24-11-8-7-9-12-24)31-27(29)26-15-13-23(14-16-26)22(3)30-5-2/h7-9,11-18,20-22,25H,4-6,10,19H2,1-3H3