(5-methyl-2-propan-2-yl-phenyl) 4-butoxybenzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-butoxybenzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C)C(C)C

InChI

InChI=1S/C21H26O3/c1-5-6-13-23-18-10-8-17(9-11-18)21(22)24-20-14-16(4)7-12-19(20)15(2)3/h7-12,14-15H,5-6,13H2,1-4H3