methyl 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoate

Systemtic Name: methyl 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoate Openeye Name: methyl 5,5-bis[4-(2-quinolylmethoxy)phenyl]hexanoate CAS Name: 5,5-bis[4-(2-quinolinylmethoxy)phenyl]hexanoic acid methyl ester IUPAC Name: methyl 5,5-bis[4-(quinolin-2-ylmethoxy)phenyl]hexanoate Traditional Name: 5,5-bis[4-(2-quinolylmethoxy)phenyl]hexanoic acid methyl ester Formula: C39H36N2O4 MolecularWeight: 596.71414

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)OC)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC(CCCC(=O)OC)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C39H36N2O4/c1-39(25-7-12-38(42)43-2,30-15-21-34(22-16-30)44-26-32-19-13-28-8-3-5-10-36(28)40-32)31-17-23-35(24-18-31)45-27-33-20-14-29-9-4-6-11-37(29)41-33/h3-6,8-11,13-24H,7,12,25-27H2,1-2H3