3-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzoate

Systemtic Name: 3-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzoate Openeye Name: 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoate Formula: C25H26NO4- MolecularWeight: 404.47824

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CC=CC(=C5)C(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CC=CC(=C5)C(=O)[O-]

InChI

InChI=1S/C25H27NO4/c27-23(26-21-3-1-2-19(11-21)24(28)29)15-30-22-6-4-20(5-7-22)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18H,8-10,12-15H2,(H,26,27)(H,28,29)/p-1