[3-[2-(1-adamantyl)-4-formamido-phenoxy]-2-oxidanyl-propyl] benzoate

Systemtic Name: [3-[2-(1-adamantyl)-4-formamido-phenoxy]-2-oxidanyl-propyl] benzoate Openeye Name: [3-[2-(1-adamantyl)-4-formamido-phenoxy]-2-hydroxy-propyl] benzoate CAS Name: benzoic acid [3-[2-(1-adamantyl)-4-formamidophenoxy]-2-hydroxypropyl] ester IUPAC Name: [3-[2-(1-adamantyl)-4-formamidophenoxy]-2-hydroxypropyl] benzoate Traditional Name: benzoic acid [3-[2-(1-adamantyl)-4-formamido-phenoxy]-2-hydroxy-propyl] ester Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)NC=O)OCC(COC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)NC=O)OCC(COC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H31NO5/c29-17-28-22-6-7-25(32-15-23(30)16-33-26(31)21-4-2-1-3-5-21)24(11-22)27-12-18-8-19(13-27)10-20(9-18)14-27/h1-7,11,17-20,23,30H,8-10,12-16H2,(H,28,29)