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

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(4-chlorophenyl)-4-oxo-butanoate CAS Name: 4-(4-chlorophenyl)-4-oxobutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate Traditional Name: 4-(4-chlorophenyl)-4-keto-butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26ClNO4 MolecularWeight: 403.89914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO4/c23-18-3-1-17(2-4-18)19(25)5-6-21(27)28-13-20(26)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-16H,5-13H2,(H,24,26)