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

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O4/c1-16(22(28)27-8-2-3-9-27)31-23(29)20-4-6-21(7-5-20)26-24(30)25-13-17-10-18(14-25)12-19(11-17)15-25/h4-7,16-19H,2-3,8-15H2,1H3,(H,26,30)/t16-,17?,18?,19?,25?/m1/s1