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

Systemtic Name: chloromethyl benzoate; [4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate Openeye Name: [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; chloromethyl benzoate CAS Name: benzoic acid chloromethyl ester; propanoic acid [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester IUPAC Name: chloromethyl benzoate; [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate Traditional Name: benzoic acid chloromethyl ester; propionic acid [1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] ester Formula: C30H36ClNO4 MolecularWeight: 510.06414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2.C8H7ClO2/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;9-6-11-8(10)7-4-2-1-3-5-7/h6-15,18H,5,16-17H2,1-4H3;1-5H,6H2