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

Systemtic Name: (2E)-2-[2-adamantyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Openeye Name: (2E)-2-[2-adamantyl-[4-(2-quinolylmethoxy)phenyl]methoxy]iminopropanoic acid CAS Name: (2E)-2-[2-adamantyl-[4-(2-quinolinylmethoxy)phenyl]methoxy]iminopropanoic acid IUPAC Name: (2E)-2-[2-adamantyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopropanoic acid Traditional Name: (2E)-2-[2-adamantyl-[4-(2-quinolylmethoxy)phenyl]methyl]oximinopropionic acid Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(C1C2CC3CC(C2)CC1C3)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=O)O

Isomeric SMILES

C/C(=N\OC(C1C2CC3CC(C2)CC1C3)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)/C(=O)O

InChI

InChI=1S/C30H32N2O4/c1-18(30(33)34)32-36-29(28-23-13-19-12-20(15-23)16-24(28)14-19)22-7-10-26(11-8-22)35-17-25-9-6-21-4-2-3-5-27(21)31-25/h2-11,19-20,23-24,28-29H,12-17H2,1H3,(H,33,34)/b32-18+