2,3-bis[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl]terephthalic acid

Systemtic Name: 2,3-bis[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl]terephthalic acid Openeye Name: 2,3-bis[2,2,6,6-tetramethyl-1-(1-phenylethoxy)-4-piperidyl]terephthalic acid CAS Name: 2,3-bis[2,2,6,6-tetramethyl-1-(1-phenylethoxy)-4-piperidinyl]terephthalic acid IUPAC Name: 2,3-bis[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl]terephthalic acid Traditional Name: 2,3-bis[2,2,6,6-tetramethyl-1-(1-phenylethoxy)-4-piperidyl]terephthalic acid Formula: C42H56N2O6 MolecularWeight: 684.90384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)ON2C(CC(CC2(C)C)C3=C(C=CC(=C3C4CC(N(C(C4)(C)C)OC(C)C5=CC=CC=C5)(C)C)C(=O)O)C(=O)O)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)ON2C(CC(CC2(C)C)C3=C(C=CC(=C3C4CC(N(C(C4)(C)C)OC(C)C5=CC=CC=C5)(C)C)C(=O)O)C(=O)O)(C)C

InChI

InChI=1S/C42H56N2O6/c1-27(29-17-13-11-14-18-29)49-43-39(3,4)23-31(24-40(43,5)6)35-33(37(45)46)21-22-34(38(47)48)36(35)32-25-41(7,8)44(42(9,10)26-32)50-28(2)30-19-15-12-16-20-30/h11-22,27-28,31-32H,23-26H2,1-10H3,(H,45,46)(H,47,48)