[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC1NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O4/c26-20(24-18-5-6-18)13-29-21(27)17-1-3-19(4-2-17)25-22(28)23-10-14-7-15(11-23)9-16(8-14)12-23/h1-4,14-16,18H,5-13H2,(H,24,26)(H,25,28)