[(1R)-1-cyanoethyl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3/c1-13(12-22)26-19(24)17-2-4-18(5-3-17)23-20(25)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-11H2,1H3,(H,23,25)/t13-,14?,15?,16?,21?/m1/s1