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

Systemtic Name: methyl 3-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]-4-oxidanyl-benzoate Openeye Name: methyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-4-hydroxy-benzoate CAS Name: 3-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]-4-hydroxybenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-4-hydroxybenzoate Traditional Name: 3-[[2-[4-(1-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)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)O)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

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