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

Systemtic Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate Openeye Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate CAS Name: 4-(1-methoxyethyl)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-methoxyethyl)benzoate Traditional Name: 4-(1-methoxyethyl)benzoic acid (1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C27H32O3 MolecularWeight: 404.54118

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32O3/c1-4-5-9-18-27(19-16-24(17-20-27)23-10-7-6-8-11-23)30-26(28)25-14-12-22(13-15-25)21(2)29-3/h6-8,10-17,19-21,24H,4-5,9,18H2,1-3H3