[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H28N2O3/c1-23(2)18-5-3-17(4-6-18)20(25)26-13-19(24)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3,(H,22,24)