(4-tert-butyl-2-methyl-phenyl) 4-propoxybenzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 4-propoxybenzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H26O3 MolecularWeight: 326.42934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)C

InChI

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