(1-butyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-propoxyethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCC

Isomeric SMILES

CCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCC

InChI

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