[1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate

Systemtic Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate Openeye Name: [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [1-(1-butoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-butoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [1-(1-butoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C28H34O3 MolecularWeight: 418.56776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCC

InChI

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