methyl 3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-[2-(1-adamantylcarbamoylamino)-2-oxo-ethoxy]benzoate CAS Name: 3-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(1-adamantylcarbamoylamino)-2-oxoethoxy]benzoate Traditional Name: 3-[2-(1-adamantylcarbamoylamino)-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N2O5/c1-27-19(25)16-3-2-4-17(8-16)28-12-18(24)22-20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-12H2,1H3,(H2,22,23,24,26)