[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: [2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl] 4-(1-adamantylcarbonylamino)benzoate Openeye Name: [2-[(2-amino-2-oxo-ethyl)amino]-2-oxo-ethyl] 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid [2-[(2-amino-2-keto-ethyl)amino]-2-keto-ethyl] ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)OCC(=O)NCC(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)OCC(=O)NCC(=O)N

InChI

InChI=1S/C22H27N3O5/c23-18(26)11-24-19(27)12-30-20(28)16-1-3-17(4-2-16)25-21(29)22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,13-15H,5-12H2,(H2,23,26)(H,24,27)(H,25,29)