chloromethyl hexanoate; [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate

Systemtic Name: chloromethyl hexanoate; [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate Openeye Name: [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; chloromethyl hexanoate CAS Name: hexanoic acid chloromethyl ester; propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester IUPAC Name: chloromethyl hexanoate; [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate Traditional Name: hexanoic acid chloromethyl ester; propionic acid [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester Formula: C29H42ClNO4 MolecularWeight: 504.10108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCCl.CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C

Isomeric SMILES

CCCCCC(=O)OCCl.CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C

InChI

InChI=1S/C22H29NO2.C7H13ClO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;1-2-3-4-5-7(9)10-6-8/h6-15,18H,5,16-17H2,1-4H3;2-6H2,1H3