methyl 4-[2-[2-(3-oxidanyl-1-adamantyl)ethanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(3-oxidanyl-1-adamantyl)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-(3-hydroxy-1-adamantyl)-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)CC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C22H29NO4/c1-27-20(25)18-4-2-15(3-5-18)6-7-23-19(24)13-21-9-16-8-17(10-21)12-22(26,11-16)14-21/h2-5,16-17,26H,6-14H2,1H3,(H,23,24)