tert-butyl 4-(hydroxymethyl)-2-[(2-phenethylphenoxy)methyl]benzoate

Systemtic Name: tert-butyl 4-(hydroxymethyl)-2-[(2-phenethylphenoxy)methyl]benzoate Openeye Name: tert-butyl 4-(hydroxymethyl)-2-[(2-phenethylphenoxy)methyl]benzoate CAS Name: 4-(hydroxymethyl)-2-[(2-phenethylphenoxy)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(hydroxymethyl)-2-[(2-phenethylphenoxy)methyl]benzoate Traditional Name: 4-methylol-2-[(2-phenethylphenoxy)methyl]benzoic acid tert-butyl ester Formula: C27H30O4 MolecularWeight: 418.5247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)CO)COC2=CC=CC=C2CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)CO)COC2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C27H30O4/c1-27(2,3)31-26(29)24-16-14-21(18-28)17-23(24)19-30-25-12-8-7-11-22(25)15-13-20-9-5-4-6-10-20/h4-12,14,16-17,28H,13,15,18-19H2,1-3H3