[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=C(C=C4)OCC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C4=CC=C(C=C4)OCC(=O)N

InChI

InChI=1S/C22H28N2O5/c23-19(25)11-28-18-3-1-17(2-4-18)21(27)29-12-20(26)24-13-22-8-14-5-15(9-22)7-16(6-14)10-22/h1-4,14-16H,5-13H2,(H2,23,25)(H,24,26)