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2-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzoic acid

2-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzoic acid

Systemtic Name:2-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzoic acid
Openeye Name:2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic acid
CAS Name:2-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]benzoic acid
IUPAC Name:2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic acid
Traditional Name:2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic acid
Formula: C25H27NO4
MolecularWeight: 405.48618
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CC=CC=C5C(=O)O


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=CC=CC=C5C(=O)O


InChI

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


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