2-[12-[[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]carbonyl-methyl-amino]octadecanoylamino]hexadecanoic acid

Systemtic Name: 2-[12-[[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]carbonyl-methyl-amino]octadecanoylamino]hexadecanoic acid Openeye Name: 2-[12-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]-methyl-amino]octadecanoylamino]hexadecanoic acid CAS Name: 2-[[12-[[[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-oxomethyl]-methylamino]-1-oxooctadecyl]amino]hexadecanoic acid IUPAC Name: 2-[12-[[7-(diethylamino)-2-oxochromene-3-carbonyl]-methylamino]octadecanoylamino]hexadecanoic acid Traditional Name: 2-[12-[[7-(diethylamino)-2-keto-chromene-3-carbonyl]-methyl-amino]octadecanoylamino]palmitic acid Formula: C49H83N3O6 MolecularWeight: 810.19982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)O)NC(=O)CCCCCCCCCCC(CCCCCC)N(C)C(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)O)NC(=O)CCCCCCCCCCC(CCCCCC)N(C)C(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

InChI

InChI=1S/C49H83N3O6/c1-6-10-12-14-15-16-17-18-19-23-26-30-34-44(48(55)56)50-46(53)35-31-27-24-21-20-22-25-29-33-41(32-28-13-11-7-2)51(5)47(54)43-38-40-36-37-42(52(8-3)9-4)39-45(40)58-49(43)57/h36-39,41,44H,6-35H2,1-5H3,(H,50,53)(H,55,56)