methyl 4-[[3-(1-adamantylcarbonylamino)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(1-adamantylcarbonylamino)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-(adamantane-1-carbonylamino)propanoylamino]methyl]benzoate CAS Name: 4-[[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(adamantane-1-carbonylamino)propanoylamino]methyl]benzoate Traditional Name: 4-[[3-(adamantane-1-carbonylamino)propanoylamino]methyl]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)CNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

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

InChI

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