quinolin-2-ylmethyl N-[1-(3-methylbutanoylamino)-3,4-bis(oxidanyl)hexyl]carbamate

Systemtic Name: quinolin-2-ylmethyl N-[1-(3-methylbutanoylamino)-3,4-bis(oxidanyl)hexyl]carbamate Openeye Name: 2-quinolylmethyl N-[3,4-dihydroxy-1-(3-methylbutanoylamino)hexyl]carbamate CAS Name: N-[3,4-dihydroxy-1-[(3-methyl-1-oxobutyl)amino]hexyl]carbamic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl N-[3,4-dihydroxy-1-(3-methylbutanoylamino)hexyl]carbamate Traditional Name: N-[3,4-dihydroxy-1-(isovalerylamino)hexyl]carbamic acid 2-quinolylmethyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(NC(=O)CC(C)C)NC(=O)OCC1=NC2=CC=CC=C2C=C1)O)O

Isomeric SMILES

CCC(C(CC(NC(=O)CC(C)C)NC(=O)OCC1=NC2=CC=CC=C2C=C1)O)O

InChI

InChI=1S/C22H31N3O5/c1-4-18(26)19(27)12-20(24-21(28)11-14(2)3)25-22(29)30-13-16-10-9-15-7-5-6-8-17(15)23-16/h5-10,14,18-20,26-27H,4,11-13H2,1-3H3,(H,24,28)(H,25,29)