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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33N3O6/c1-15-3-4-19(23(31)33-2)10-20(15)27-21(29)14-34-22(30)5-6-26-24(32)28-25-11-16-7-17(12-25)9-18(8-16)13-25/h3-4,10,16-18H,5-9,11-14H2,1-2H3,(H,27,29)(H2,26,28,32)