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

Systemtic Name: methyl 3-[2-[4-(2-adamantyl)phenoxy]ethanoylamino]-4-oxidanyl-benzoate Openeye Name: methyl 3-[[2-[4-(2-adamantyl)phenoxy]acetyl]amino]-4-hydroxy-benzoate CAS Name: 3-[[2-[4-(2-adamantyl)phenoxy]-1-oxoethyl]amino]-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2-adamantyl)phenoxy]acetyl]amino]-4-hydroxybenzoate Traditional Name: 3-[[2-[4-(2-adamantyl)phenoxy]acetyl]amino]-4-hydroxy-benzoic acid methyl ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H29NO5/c1-31-26(30)18-4-7-23(28)22(13-18)27-24(29)14-32-21-5-2-17(3-6-21)25-19-9-15-8-16(11-19)12-20(25)10-15/h2-7,13,15-16,19-20,25,28H,8-12,14H2,1H3,(H,27,29)