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

Systemtic Name: chloromethyl benzoate; 1-[2-(diethylamino)phenyl]propan-1-one Openeye Name: chloromethyl benzoate; 1-[2-(diethylamino)phenyl]propan-1-one CAS Name: benzoic acid chloromethyl ester; 1-[2-(diethylamino)phenyl]-1-propanone IUPAC Name: chloromethyl benzoate; 1-[2-(diethylamino)phenyl]propan-1-one Traditional Name: benzoic acid chloromethyl ester; 1-[2-(diethylamino)phenyl]propan-1-one Formula: C21H26ClNO3 MolecularWeight: 375.88904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO.C8H7ClO2/c1-4-13(15)11-9-7-8-10-12(11)14(5-2)6-3;9-6-11-8(10)7-4-2-1-3-5-7/h7-10H,4-6H2,1-3H3;1-5H,6H2