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

Systemtic Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Openeye Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate CAS Name: 4-(1-butoxyethyl)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-butoxyethyl)benzoate Traditional Name: 4-(1-butoxyethyl)benzoic acid (1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C30H38O3 MolecularWeight: 446.62092

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C30H38O3/c1-4-6-11-20-30(21-18-27(19-22-30)26-12-9-8-10-13-26)33-29(31)28-16-14-25(15-17-28)24(3)32-23-7-5-2/h8-10,12-19,21-22,24,27H,4-7,11,20,23H2,1-3H3