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

Systemtic Name: ethyl 3-[2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]benzoic acid ethyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H27NO4/c1-2-26-19(24)16-4-3-5-17(7-16)22-18(23)12-20-8-14-6-15(9-20)11-21(25,10-14)13-20/h3-5,7,14-15,25H,2,6,8-13H2,1H3,(H,22,23)/t14-,15+,20?,21?