methyl 2-[[4-[2-(1-adamantylcarbonylamino)ethanoylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[2-(1-adamantylcarbonylamino)ethanoylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[2-(adamantane-1-carbonylamino)acetyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5/c1-31-20(28)13-24-21(29)17-2-4-18(5-3-17)26-19(27)12-25-22(30)23-9-14-6-15(10-23)8-16(7-14)11-23/h2-5,14-16H,6-13H2,1H3,(H,24,29)(H,25,30)(H,26,27)