[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)benzoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(dimethylamino)benzoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H30N2O3/c1-14(27-21(26)18-4-6-19(7-5-18)24(2)3)20(25)23-22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,14-17H,8-13H2,1-3H3,(H,23,25)/t14-,15?,16?,17?,22?/m1/s1