methyl 3-[[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2R)-1-(1-adamantylcarbamoylamino)-1-oxidanylidene-propan-2-yl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(1R)-2-(1-adamantylcarbamoylamino)-1-methyl-2-oxo-ethyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2R)-1-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropan-2-yl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]amino]-4-methylbenzoate Traditional Name: 3-[[(1R)-2-(1-adamantylcarbamoylamino)-2-keto-1-methyl-ethyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)N[C@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31N3O4/c1-13-4-5-18(21(28)30-3)9-19(13)24-14(2)20(27)25-22(29)26-23-10-15-6-16(11-23)8-17(7-15)12-23/h4-5,9,14-17,24H,6-8,10-12H2,1-3H3,(H2,25,26,27,29)/t14-,15?,16?,17?,23?/m1/s1