2-[3-[2-(1-adamantyl)ethanoylamino]-4-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3-[2-(1-adamantyl)ethanoylamino]-4-methyl-phenoxy]ethanoic acid Openeye Name: 2-[3-[[2-(1-adamantyl)acetyl]amino]-4-methyl-phenoxy]acetic acid CAS Name: 2-[3-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-methylphenoxy]acetic acid IUPAC Name: 2-[3-[[2-(1-adamantyl)acetyl]amino]-4-methylphenoxy]acetic acid Traditional Name: 2-[3-[[2-(1-adamantyl)acetyl]amino]-4-methyl-phenoxy]acetic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)O)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)O)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27NO4/c1-13-2-3-17(26-12-20(24)25)7-18(13)22-19(23)11-21-8-14-4-15(9-21)6-16(5-14)10-21/h2-3,7,14-16H,4-6,8-12H2,1H3,(H,22,23)(H,24,25)