ethyl 5-(aminomethyl)-5-(3,4-dichlorophenyl)-8-(oxan-2-yloxy)octanoate

Systemtic Name: ethyl 5-(aminomethyl)-5-(3,4-dichlorophenyl)-8-(oxan-2-yloxy)octanoate Openeye Name: ethyl 5-(aminomethyl)-5-(3,4-dichlorophenyl)-8-tetrahydropyran-2-yloxy-octanoate CAS Name: 5-(aminomethyl)-5-(3,4-dichlorophenyl)-8-(2-oxanyloxy)octanoic acid ethyl ester IUPAC Name: ethyl 5-(aminomethyl)-5-(3,4-dichlorophenyl)-8-(oxan-2-yloxy)octanoate Traditional Name: 5-(aminomethyl)-5-(3,4-dichlorophenyl)-8-tetrahydropyran-2-yloxy-caprylic acid ethyl ester Formula: C22H33Cl2NO4 MolecularWeight: 446.40772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(CCCOC1CCCCO1)(CN)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)CCCC(CCCOC1CCCCO1)(CN)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C22H33Cl2NO4/c1-2-27-20(26)7-5-11-22(16-25,17-9-10-18(23)19(24)15-17)12-6-14-29-21-8-3-4-13-28-21/h9-10,15,21H,2-8,11-14,16,25H2,1H3