3,4,5,6-tetrakis(oxidanyl)-1,7-bis[(phenylmethyl)amino]heptan-2-one

Systemtic Name: 3,4,5,6-tetrakis(oxidanyl)-1,7-bis[(phenylmethyl)amino]heptan-2-one Openeye Name: 1,7-bis(benzylamino)-3,4,5,6-tetrahydroxy-heptan-2-one CAS Name: 3,4,5,6-tetrahydroxy-1,7-bis[(phenylmethyl)amino]-2-heptanone IUPAC Name: 1,7-bis(benzylamino)-3,4,5,6-tetrahydroxyheptan-2-one Traditional Name: 1,7-bis(benzylamino)-3,4,5,6-tetrahydroxy-heptan-2-one Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(C(C(C(C(=O)CNCC2=CC=CC=C2)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(C(C(C(C(=O)CNCC2=CC=CC=C2)O)O)O)O

InChI

InChI=1S/C21H28N2O5/c24-17(13-22-11-15-7-3-1-4-8-15)19(26)21(28)20(27)18(25)14-23-12-16-9-5-2-6-10-16/h1-10,17,19-24,26-28H,11-14H2