4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methoxy]-3-phenethyl-benzoic acid

Systemtic Name: 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methoxy]-3-phenethyl-benzoic acid Openeye Name: 4-[(4-tert-butoxycarbonylphenyl)methoxy]-3-phenethyl-benzoic acid CAS Name: 4-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]methoxy]-3-phenethylbenzoic acid IUPAC Name: 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methoxy]-3-phenethylbenzoic acid Traditional Name: 4-(4-tert-butoxycarbonylbenzyl)oxy-3-phenethyl-benzoic acid Formula: C27H28O5 MolecularWeight: 432.50822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C27H28O5/c1-27(2,3)32-26(30)21-12-10-20(11-13-21)18-31-24-16-15-23(25(28)29)17-22(24)14-9-19-7-5-4-6-8-19/h4-8,10-13,15-17H,9,14,18H2,1-3H3,(H,28,29)