[1-(1-ethoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate

Systemtic Name: [1-(1-ethoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate Openeye Name: [1-(1-ethoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [1-(1-ethoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-ethoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [1-(1-ethoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OCC

InChI

InChI=1S/C27H32O3/c1-4-6-10-22-13-15-25(16-14-22)26(28)30-27(21(3)29-5-2)19-17-24(18-20-27)23-11-8-7-9-12-23/h7-9,11-21,24H,4-6,10H2,1-3H3