cyclohexylmethyl 3-[2-(azepan-1-yl)ethoxy]-1-ethyl-naphthalene-2-carboperoxoate

Systemtic Name: cyclohexylmethyl 3-[2-(azepan-1-yl)ethoxy]-1-ethyl-naphthalene-2-carboperoxoate Openeye Name: cyclohexylmethyl 3-[2-(azepan-1-yl)ethoxy]-1-ethyl-naphthalene-2-carboperoxoate CAS Name: 3-[2-(1-azepanyl)ethoxy]-1-ethyl-2-naphthalenecarboperoxoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 3-[2-(azepan-1-yl)ethoxy]-1-ethylnaphthalene-2-carboperoxoate Traditional Name: 3-[2-(azepan-1-yl)ethoxy]-1-ethyl-naphthalene-2-carboperoxoic acid cyclohexylmethyl ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC2=CC=CC=C21)OCCN3CCCCCC3)C(=O)OOCC4CCCCC4

Isomeric SMILES

CCC1=C(C(=CC2=CC=CC=C21)OCCN3CCCCCC3)C(=O)OOCC4CCCCC4

InChI

InChI=1S/C28H39NO4/c1-2-24-25-15-9-8-14-23(25)20-26(31-19-18-29-16-10-3-4-11-17-29)27(24)28(30)33-32-21-22-12-6-5-7-13-22/h8-9,14-15,20,22H,2-7,10-13,16-19,21H2,1H3