cyclohexylazanium; 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-5-phenyl-pentanoate

Systemtic Name: cyclohexylazanium; 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-5-phenyl-pentanoate Openeye Name: 2-(2-tert-butoxy-2-oxo-ethyl)-5-phenyl-pentanoate; cyclohexylammonium CAS Name: cyclohexylammonium; 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpentanoate IUPAC Name: cyclohexylazanium; 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpentanoate Traditional Name: 2-(2-tert-butoxy-2-keto-ethyl)-5-phenyl-valerate; cyclohexylammonium Formula: C23H37NO4 MolecularWeight: 391.54418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCC1=CC=CC=C1)C(=O)[O-].C1CCC(CC1)[NH3+]

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCC1=CC=CC=C1)C(=O)[O-].C1CCC(CC1)[NH3+]

InChI

InChI=1S/C17H24O4.C6H13N/c1-17(2,3)21-15(18)12-14(16(19)20)11-7-10-13-8-5-4-6-9-13;7-6-4-2-1-3-5-6/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,20);6H,1-5,7H2