[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-phenylmethoxybenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-benzyloxybenzoate CAS Name: 4-phenylmethoxybenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-phenylmethoxybenzoate Traditional Name: 4-benzoxybenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C26H29NO4/c28-24(27-26-13-19-10-20(14-26)12-21(11-19)15-26)17-31-25(29)22-6-8-23(9-7-22)30-16-18-4-2-1-3-5-18/h1-9,19-21H,10-17H2,(H,27,28)