(4-butan-2-ylphenyl) 3-methylbenzoate

Systemtic Name: (4-butan-2-ylphenyl) 3-methylbenzoate Openeye Name: (4-sec-butylphenyl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-sec-butylphenyl) ester Formula: C18H20O2 MolecularWeight: 268.3502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O2/c1-4-14(3)15-8-10-17(11-9-15)20-18(19)16-7-5-6-13(2)12-16/h5-12,14H,4H2,1-3H3