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

Systemtic Name: methyl 4-[2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-25-18(23)15-2-4-16(5-3-15)21-17(22)11-19-7-13-6-14(8-19)10-20(24,9-13)12-19/h2-5,13-14,24H,6-12H2,1H3,(H,21,22)/t13-,14+,19?,20?