[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-hydroxyphenyl)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-hydroxyphenyl)ethanoate Openeye Name: [(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(4-hydroxyphenyl)acetate CAS Name: 2-(4-hydroxyphenyl)acetic acid [(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)acetate Traditional Name: 2-(4-hydroxyphenyl)acetic acid [(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)O

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CC4=CC=C(C=C4)O

InChI

InChI=1S/C22H28N2O5/c1-13(29-19(26)9-14-2-4-18(25)5-3-14)20(27)23-21(28)24-22-10-15-6-16(11-22)8-17(7-15)12-22/h2-5,13,15-17,25H,6-12H2,1H3,(H2,23,24,27,28)/t13-,15?,16?,17?,22?/m1/s1