4-[[3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-methyl-amino]benzoic acid

Systemtic Name: 4-[[3-[4-(1-adamantyl)phenoxy]-2-oxidanyl-propyl]-methyl-amino]benzoic acid Openeye Name: 4-[[3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-methyl-amino]benzoic acid CAS Name: 4-[[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-methylamino]benzoic acid IUPAC Name: 4-[[3-[4-(1-adamantyl)phenoxy]-2-hydroxypropyl]-methylamino]benzoic acid Traditional Name: 4-[[3-[4-(1-adamantyl)phenoxy]-2-hydroxy-propyl]-methyl-amino]benzoic acid Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CN(CC(COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)O)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H33NO4/c1-28(23-6-2-21(3-7-23)26(30)31)16-24(29)17-32-25-8-4-22(5-9-25)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,18-20,24,29H,10-17H2,1H3,(H,30,31)