[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-3-24-20(26)14(2)29-21(27)18-4-6-19(7-5-18)25-22(28)23-11-15-8-16(12-23)10-17(9-15)13-23/h4-7,14-17H,3,8-13H2,1-2H3,(H,24,26)(H,25,28)/t14-,15?,16?,17?,23?/m0/s1