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

Systemtic Name: methyl 4-[[2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(5S,7R)-3-hydroxy-1-adamantyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(5S,7R)-3-hydroxy-1-adamantyl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-26-19(24)17-4-2-14(3-5-17)12-22-18(23)11-20-7-15-6-16(8-20)10-21(25,9-15)13-20/h2-5,15-16,25H,6-13H2,1H3,(H,22,23)/t15-,16+,20?,21?