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

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]benzoic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H30N2O4/c27-21(25-23-19-9-16-8-17(11-19)12-20(23)10-16)14-30-24(29)18-5-3-15(4-6-18)13-26-7-1-2-22(26)28/h3-6,16-17,19-20,23H,1-2,7-14H2,(H,25,27)