[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C21H27ClN2O3 MolecularWeight: 390.90368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=C(C=C4)Cl)N

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C21H27ClN2O3/c1-12(21-8-13-4-14(9-21)6-15(5-13)10-21)24-19(25)11-27-20(26)16-2-3-17(22)18(23)7-16/h2-3,7,12-15H,4-6,8-11,23H2,1H3,(H,24,25)