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

Systemtic Name: ethyl 3-[2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]benzoate CAS Name: 3-[[2-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetyl]amino]benzoic acid ethyl ester Formula: C22H27ClN2O4 MolecularWeight: 418.91378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O4/c1-2-29-19(27)16-4-3-5-17(7-16)25-18(26)12-24-20(28)21-8-14-6-15(9-21)11-22(23,10-14)13-21/h3-5,7,14-15H,2,6,8-13H2,1H3,(H,24,28)(H,25,26)/t14-,15+,21?,22?