2-[1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentyl]-1,2-oxazetidine-4-carboxylic acid

Systemtic Name: 2-[1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentyl]-1,2-oxazetidine-4-carboxylic acid Openeye Name: 2-[1,5-bis[4-(2-quinolylmethoxy)phenyl]pentyl]oxazetidine-4-carboxylic acid CAS Name: 2-[1,5-bis[4-(2-quinolinylmethoxy)phenyl]pentyl]-4-oxazetidinecarboxylic acid IUPAC Name: 2-[1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentyl]oxazetidine-4-carboxylic acid Traditional Name: 2-[1,5-bis[4-(2-quinolylmethoxy)phenyl]pentyl]oxazetidine-4-carboxylic acid Formula: C40H37N3O5 MolecularWeight: 639.73888

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON1C(CCCCC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)C(=O)O

Isomeric SMILES

C1C(ON1C(CCCCC2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=C(C=C5)OCC6=NC7=CC=CC=C7C=C6)C(=O)O

InChI

InChI=1S/C40H37N3O5/c44-40(45)39-25-43(48-39)38(31-17-23-35(24-18-31)47-27-33-20-16-30-9-3-5-11-37(30)42-33)12-6-1-7-28-13-21-34(22-14-28)46-26-32-19-15-29-8-2-4-10-36(29)41-32/h2-5,8-11,13-24,38-39H,1,6-7,12,25-27H2,(H,44,45)