O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-methyl 2-(quinolin-3-ylcarbonylamino)hexanedioate

Systemtic Name: O6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl) O1-methyl 2-(quinolin-3-ylcarbonylamino)hexanedioate Openeye Name: O6-[1-(2-amino-2-oxo-ethyl)tetradecyl] O1-methyl 2-(quinoline-3-carbonylamino)hexanedioate CAS Name: 2-[[oxo(3-quinolinyl)methyl]amino]hexanedioic acid O6-(1-amino-1-oxohexadecan-3-yl) ester O1-methyl ester IUPAC Name: 6-O-(1-amino-1-oxohexadecan-3-yl) 1-O-methyl 2-(quinoline-3-carbonylamino)hexanedioate Traditional Name: 2-(quinoline-3-carbonylamino)adipic acid O6-[1-(2-amino-2-keto-ethyl)tetradecyl] ester O1-methyl ester Formula: C33H49N3O6 MolecularWeight: 583.75866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OC)NC(=O)C1=CC2=CC=CC=C2N=C1

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)CCCC(C(=O)OC)NC(=O)C1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C33H49N3O6/c1-3-4-5-6-7-8-9-10-11-12-13-18-27(23-30(34)37)42-31(38)21-16-20-29(33(40)41-2)36-32(39)26-22-25-17-14-15-19-28(25)35-24-26/h14-15,17,19,22,24,27,29H,3-13,16,18,20-21,23H2,1-2H3,(H2,34,37)(H,36,39)