(2E)-2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid

Systemtic Name: (2E)-2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Openeye Name: (2E)-2-[cycloheptyl-[4-(2-quinolylmethoxy)phenyl]methoxy]iminopropanoic acid CAS Name: (2E)-2-[cycloheptyl-[4-(2-quinolinylmethoxy)phenyl]methoxy]iminopropanoic acid IUPAC Name: (2E)-2-[cycloheptyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Traditional Name: (2E)-2-[cycloheptyl-[4-(2-quinolylmethoxy)phenyl]methyl]oximinopropionic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1CCCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C/C(=N\OC(C1CCCCCC1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)/C(=O)O

InChI

InChI=1S/C27H30N2O4/c1-19(27(30)31)29-33-26(21-9-4-2-3-5-10-21)22-13-16-24(17-14-22)32-18-23-15-12-20-8-6-7-11-25(20)28-23/h6-8,11-17,21,26H,2-5,9-10,18H2,1H3,(H,30,31)/b29-19+