[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O4/c24-18-4-3-17(9-19(18)26-5-1-2-21(26)28)22(29)30-13-20(27)25-23-10-14-6-15(11-23)8-16(7-14)12-23/h3-4,9,14-16H,1-2,5-8,10-13H2,(H,25,27)