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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N2O4/c1-14(21(27)25-19-6-7-19)30-22(28)18-2-4-20(5-3-18)26-23(29)24-11-15-8-16(12-24)10-17(9-15)13-24/h2-5,14-17,19H,6-13H2,1H3,(H,25,27)(H,26,29)/t14-,15?,16?,17?,24?/m1/s1