[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4/c1-12(18(22)24)27-19(25)16-2-4-17(5-3-16)23-20(26)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3,(H2,22,24)(H,23,26)/t12-,13?,14?,15?,21?/m1/s1