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

Systemtic Name: 4-[[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-methoxy-phenoxy]methyl]benzoic acid Formula: C32H33NO4 MolecularWeight: 495.60872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)OCC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)OCC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C32H33NO4/c1-36-30-15-22(4-11-29(30)37-20-21-2-5-26(6-3-21)31(34)35)19-33-28-9-7-27(8-10-28)32-16-23-12-24(17-32)14-25(13-23)18-32/h2-11,15,19,23-25H,12-14,16-18,20H2,1H3,(H,34,35)