chloromethyl octanoate; 1-[2-(diethylamino)phenyl]propan-1-one

Systemtic Name: chloromethyl octanoate; 1-[2-(diethylamino)phenyl]propan-1-one Openeye Name: chloromethyl octanoate; 1-[2-(diethylamino)phenyl]propan-1-one CAS Name: 1-[2-(diethylamino)phenyl]-1-propanone; octanoic acid chloromethyl ester IUPAC Name: chloromethyl octanoate; 1-[2-(diethylamino)phenyl]propan-1-one Traditional Name: caprylic acid chloromethyl ester; 1-[2-(diethylamino)phenyl]propan-1-one Formula: C22H36ClNO3 MolecularWeight: 397.97914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCl.CCC(=O)C1=CC=CC=C1N(CC)CC

Isomeric SMILES

CCCCCCCC(=O)OCCl.CCC(=O)C1=CC=CC=C1N(CC)CC

InChI

InChI=1S/C13H19NO.C9H17ClO2/c1-4-13(15)11-9-7-8-10-12(11)14(5-2)6-3;1-2-3-4-5-6-7-9(11)12-8-10/h7-10H,4-6H2,1-3H3;2-8H2,1H3