methyl 4-[[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]acetyl]amino]methyl]benzoic acid methyl ester Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33N3O6/c1-33-23(31)20-4-2-16(3-5-20)14-27-21(29)15-34-22(30)6-7-26-24(32)28-25-11-17-8-18(12-25)10-19(9-17)13-25/h2-5,17-19H,6-15H2,1H3,(H,27,29)(H2,26,28,32)