3-[4-(cyanomethyl)phenoxy]-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[4-(cyanomethyl)phenoxy]-3-(2-oxidanylpropoxy)-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[4-(cyanomethyl)phenoxy]-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-[4-(cyanomethyl)phenoxy]-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-(cyanomethyl)phenoxy]-3-(2-hydroxypropoxy)-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-[4-(cyanomethyl)phenoxy]-3-(2-hydroxypropoxy)-2-isopropoxy-2-phenyl-propionic acid Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C1=CC=CC=C1)(C(OCC(C)O)OC2=CC=C(C=C2)CC#N)C(=O)O

Isomeric SMILES

CC(C)OC(C1=CC=CC=C1)(C(OCC(C)O)OC2=CC=C(C=C2)CC#N)C(=O)O

InChI

InChI=1S/C23H27NO6/c1-16(2)30-23(21(26)27,19-7-5-4-6-8-19)22(28-15-17(3)25)29-20-11-9-18(10-12-20)13-14-24/h4-12,16-17,22,25H,13,15H2,1-3H3,(H,26,27)