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

Systemtic Name: methyl 3-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]benzoic acid methyl ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4/c1-30-25(29)20-3-2-4-22(12-20)27-24(28)16-31-23-7-5-21(6-8-23)26-13-17-9-18(14-26)11-19(10-17)15-26/h2-8,12,17-19H,9-11,13-16H2,1H3,(H,27,28)