ethyl 2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]benzoate Openeye Name: ethyl 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]benzoate CAS Name: 2-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]benzoate Traditional Name: 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H24ClNO3 MolecularWeight: 361.86246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H24ClNO3/c1-2-25-17(23)15-5-3-4-6-16(15)22-18(24)19-8-13-7-14(9-19)11-20(21,10-13)12-19/h3-6,13-14H,2,7-12H2,1H3,(H,22,24)/t13-,14+,19?,20?