chloromethyl heptanoate; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one

Systemtic Name: chloromethyl heptanoate; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one Openeye Name: chloromethyl heptanoate; 6-(dimethylamino)-4,4-diphenyl-heptan-3-one CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-heptanone; heptanoic acid chloromethyl ester IUPAC Name: chloromethyl heptanoate; 6-(dimethylamino)-4,4-diphenylheptan-3-one Traditional Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; enanthic acid chloromethyl ester Formula: C29H42ClNO3 MolecularWeight: 488.10168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OCCl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(=O)OCCl.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO.C8H15ClO2/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-3-4-5-6-8(10)11-7-9/h6-15,17H,5,16H2,1-4H3;2-7H2,1H3