4-[[2-[[4-(1-adamantyl)phenyl]iminomethyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[[4-(1-adamantyl)phenyl]iminomethyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[[4-(1-adamantyl)phenyl]iminomethyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[[4-(1-adamantyl)phenyl]iminomethyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[[4-(1-adamantyl)phenyl]iminomethyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[[4-(1-adamantyl)phenyl]iminomethyl]phenoxy]methyl]benzoic acid Formula: C31H31NO3 MolecularWeight: 465.58274

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N=CC5=CC=CC=C5OCC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)N=CC5=CC=CC=C5OCC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C31H31NO3/c33-30(34)25-7-5-21(6-8-25)20-35-29-4-2-1-3-26(29)19-32-28-11-9-27(10-12-28)31-16-22-13-23(17-31)15-24(14-22)18-31/h1-12,19,22-24H,13-18,20H2,(H,33,34)