(2-propan-2-ylphenyl) 4-(3-methyl-4-propan-2-yl-phenoxy)butanoate

Systemtic Name: (2-propan-2-ylphenyl) 4-(3-methyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: (2-isopropylphenyl) 4-(4-isopropyl-3-methyl-phenoxy)butanoate CAS Name: 4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 4-(3-methyl-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropyl-3-methyl-phenoxy)butyric acid o-cumenyl ester Formula: C23H30O3 MolecularWeight: 354.4825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OC2=CC=CC=C2C(C)C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OC2=CC=CC=C2C(C)C)C(C)C

InChI

InChI=1S/C23H30O3/c1-16(2)20-13-12-19(15-18(20)5)25-14-8-11-23(24)26-22-10-7-6-9-21(22)17(3)4/h6-7,9-10,12-13,15-17H,8,11,14H2,1-5H3