hexyl 2-[4-azanyl-2-(2-chloranylpropyl)phenyl]-3-phenyl-cyclopropene-1-carboperoxoate

Systemtic Name: hexyl 2-[4-azanyl-2-(2-chloranylpropyl)phenyl]-3-phenyl-cyclopropene-1-carboperoxoate Openeye Name: hexyl 2-[4-amino-2-(2-chloropropyl)phenyl]-3-phenyl-cyclopropene-1-carboperoxoate CAS Name: 2-[4-amino-2-(2-chloropropyl)phenyl]-3-phenyl-1-cyclopropenecarboperoxoic acid hexyl ester IUPAC Name: hexyl 2-[4-amino-2-(2-chloropropyl)phenyl]-3-phenylcyclopropene-1-carboperoxoate Traditional Name: 2-[4-amino-2-(2-chloropropyl)phenyl]-3-phenyl-cyclopropene-1-carboperoxoic acid hexyl ester Formula: C25H30ClNO3 MolecularWeight: 427.9636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOOC(=O)C1=C(C1C2=CC=CC=C2)C3=C(C=C(C=C3)N)CC(C)Cl

Isomeric SMILES

CCCCCCOOC(=O)C1=C(C1C2=CC=CC=C2)C3=C(C=C(C=C3)N)CC(C)Cl

InChI

InChI=1S/C25H30ClNO3/c1-3-4-5-9-14-29-30-25(28)24-22(18-10-7-6-8-11-18)23(24)21-13-12-20(27)16-19(21)15-17(2)26/h6-8,10-13,16-17,22H,3-5,9,14-15,27H2,1-2H3