[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O4/c26-20(24-23-11-15-7-16(12-23)9-17(8-15)13-23)14-29-22(28)18-3-1-4-19(10-18)25-6-2-5-21(25)27/h1,3-4,10,15-17H,2,5-9,11-14H2,(H,24,26)