4-(1-adamantylcarbonylamino)oxybutyl benzoate

Systemtic Name: 4-(1-adamantylcarbonylamino)oxybutyl benzoate Openeye Name: 4-(adamantane-1-carbonylamino)oxybutyl benzoate CAS Name: benzoic acid 4-[[1-adamantyl(oxo)methyl]amino]oxybutyl ester IUPAC Name: 4-(adamantane-1-carbonylamino)oxybutyl benzoate Traditional Name: benzoic acid 4-(adamantane-1-carbonylamino)oxybutyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NOCCCCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NOCCCCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H29NO4/c24-20(19-6-2-1-3-7-19)26-8-4-5-9-27-23-21(25)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-3,6-7,16-18H,4-5,8-15H2,(H,23,25)