methyl 3-[2-(1-adamantylcarbonylamino)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1-adamantylcarbonylamino)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoate Traditional Name: 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoic acid methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N2O4/c1-27-19(25)16-3-2-4-17(8-16)23-18(24)12-22-20(26)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15H,5-7,9-12H2,1H3,(H,22,26)(H,23,24)