[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)carbonylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(4-chlorobenzoyl)benzoate CAS Name: 2-[(4-chlorophenyl)-oxomethyl]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate Traditional Name: 2-(4-chlorobenzoyl)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C26H26ClNO4 MolecularWeight: 451.94194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=CC=C4C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H26ClNO4/c27-20-7-5-19(6-8-20)24(30)21-3-1-2-4-22(21)25(31)32-15-23(29)28-26-12-16-9-17(13-26)11-18(10-16)14-26/h1-8,16-18H,9-15H2,(H,28,29)