(diphenylmethyl) 2-bromanyl-5-oxidanyl-pentanoate; (phenylmethyl) carbamate

Systemtic Name: (diphenylmethyl) 2-bromanyl-5-oxidanyl-pentanoate; (phenylmethyl) carbamate Openeye Name: benzhydryl 2-bromo-5-hydroxy-pentanoate; benzyl carbamate CAS Name: 2-bromo-5-hydroxypentanoic acid (diphenylmethyl) ester; carbamic acid (phenylmethyl) ester IUPAC Name: benzhydryl 2-bromo-5-hydroxypentanoate; benzyl carbamate Traditional Name: 2-bromo-5-hydroxy-valeric acid benzhydryl ester; carbamic acid benzyl ester Formula: C26H28BrNO5 MolecularWeight: 514.40822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N.C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(CCCO)Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N.C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C(CCCO)Br

InChI

InChI=1S/C18H19BrO3.C8H9NO2/c19-16(12-7-13-20)18(21)22-17(14-8-3-1-4-9-14)15-10-5-2-6-11-15;9-8(10)11-6-7-4-2-1-3-5-7/h1-6,8-11,16-17,20H,7,12-13H2;1-5H,6H2,(H2,9,10)