methyl 2-methoxy-5-[[2-(3-oxidanyl-1-adamantyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[2-(3-oxidanyl-1-adamantyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 5-[[[2-(3-hydroxy-1-adamantyl)acetyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[2-(3-hydroxy-1-adamantyl)-1-oxoethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[2-(3-hydroxy-1-adamantyl)acetyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[2-(3-hydroxy-1-adamantyl)acetyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CC23CC4CC(C2)CC(C4)(C3)O)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC23CC4CC(C2)CC(C4)(C3)O)C(=O)OC

InChI

InChI=1S/C22H29NO5/c1-27-18-4-3-14(6-17(18)20(25)28-2)12-23-19(24)11-21-7-15-5-16(8-21)10-22(26,9-15)13-21/h3-4,6,15-16,26H,5,7-13H2,1-2H3,(H,23,24)