phenethyl 4-butan-2-ylbenzoate

Systemtic Name: phenethyl 4-butan-2-ylbenzoate Openeye Name: phenethyl 4-sec-butylbenzoate CAS Name: 4-butan-2-ylbenzoic acid phenethyl ester IUPAC Name: phenethyl 4-butan-2-ylbenzoate Traditional Name: 4-sec-butylbenzoic acid phenethyl ester Formula: C19H22O2 MolecularWeight: 282.37678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C19H22O2/c1-3-15(2)17-9-11-18(12-10-17)19(20)21-14-13-16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3