butyl 4-[2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]benzoic acid butyl ester Formula: C23H31NO4 MolecularWeight: 385.49654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4/c1-2-3-8-28-21(26)18-4-6-19(7-5-18)24-20(25)14-22-10-16-9-17(11-22)13-23(27,12-16)15-22/h4-7,16-17,27H,2-3,8-15H2,1H3,(H,24,25)/t16-,17+,22?,23?