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

Systemtic Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate Openeye Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate CAS Name: 4-(1-methoxyethyl)benzoic acid (1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-methoxyethyl)benzoate Traditional Name: 4-(1-methoxyethyl)benzoic acid (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C29H36O3 MolecularWeight: 432.59434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OC

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OC

InChI

InChI=1S/C29H36O3/c1-4-5-6-7-11-20-29(21-18-26(19-22-29)25-12-9-8-10-13-25)32-28(30)27-16-14-24(15-17-27)23(2)31-3/h8-10,12-19,21-23,26H,4-7,11,20H2,1-3H3