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

Systemtic Name: methyl 4-[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]acetyl]amino]benzoate CAS Name: 4-[[2-[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(1-adamantylcarbamoylamino)propanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C24H31N3O6 MolecularWeight: 457.51944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O6/c1-32-22(30)18-2-4-19(5-3-18)26-20(28)14-33-21(29)6-7-25-23(31)27-24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,15-17H,6-14H2,1H3,(H,26,28)(H2,25,27,31)