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

Systemtic Name: methyl 4-[2-[2-(1-adamantylcarbonylamino)ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-(adamantane-1-carbonylamino)acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(adamantane-1-carbonylamino)acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-(adamantane-1-carbonylamino)acetyl]amino]ethyl]benzoic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-29-21(27)19-4-2-15(3-5-19)6-7-24-20(26)14-25-22(28)23-11-16-8-17(12-23)10-18(9-16)13-23/h2-5,16-18H,6-14H2,1H3,(H,24,26)(H,25,28)