[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [3-(2-methoxyphenyl)isoxazol-5-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [3-(2-methoxyphenyl)-5-isoxazolyl]methyl ester IUPAC Name: [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [3-(2-methoxyphenyl)isoxazol-5-yl]methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=C2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=C2)COC(=O)CCNC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O5/c1-31-22-5-3-2-4-20(22)21-11-19(33-28-21)15-32-23(29)6-7-26-24(30)27-25-12-16-8-17(13-25)10-18(9-16)14-25/h2-5,11,16-18H,6-10,12-15H2,1H3,(H2,26,27,30)