[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCCOC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCCOC4=CC=CC=C4

InChI

InChI=1S/C23H31NO4/c25-21(15-28-22(26)7-4-8-27-20-5-2-1-3-6-20)24-16-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-3,5-6,17-19H,4,7-16H2,(H,24,25)