methyl 4-[[2-(1-adamantylcarbonylamino)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(1-adamantylcarbonylamino)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(adamantane-1-carbonylamino)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(adamantane-1-carbonylamino)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(adamantane-1-carbonylamino)acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4/c1-28-20(26)18-4-2-14(3-5-18)12-23-19(25)13-24-21(27)22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,15-17H,6-13H2,1H3,(H,23,25)(H,24,27)