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

Systemtic Name: (4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Openeye Name: (4-phenyl-1-propyl-cyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate CAS Name: 4-(1-butoxyethyl)benzoic acid (4-phenyl-1-propyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (4-phenyl-1-propylcyclohexa-2,5-dien-1-yl) 4-(1-butoxyethyl)benzoate Traditional Name: 4-(1-butoxyethyl)benzoic acid (4-phenyl-1-propyl-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=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCC

InChI

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