2-azanyl-4-[[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]carbonyl-methyl-amino]-3-oxidanylidene-2-tetradecyl-icosanoic acid

Systemtic Name: 2-azanyl-4-[[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]carbonyl-methyl-amino]-3-oxidanylidene-2-tetradecyl-icosanoic acid Openeye Name: 2-amino-4-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]-methyl-amino]-3-oxo-2-tetradecyl-icosanoic acid CAS Name: 2-amino-4-[[[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-oxomethyl]-methylamino]-3-oxo-2-tetradecyleicosanoic acid IUPAC Name: 2-amino-4-[[7-(diethylamino)-2-oxochromene-3-carbonyl]-methylamino]-3-oxo-2-tetradecylicosanoic acid Traditional Name: 2-amino-4-[[7-(diethylamino)-2-keto-chromene-3-carbonyl]-methyl-amino]-3-keto-2-myristyl-arachidic acid Formula: C49H83N3O6 MolecularWeight: 810.19982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)C(CCCCCCCCCCCCCC)(C(=O)O)N)N(C)C(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)C(CCCCCCCCCCCCCC)(C(=O)O)N)N(C)C(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

InChI

InChI=1S/C49H83N3O6/c1-6-10-12-14-16-18-20-22-23-24-26-28-30-32-34-43(45(53)49(50,48(56)57)37-33-31-29-27-25-21-19-17-15-13-11-7-2)51(5)46(54)42-38-40-35-36-41(52(8-3)9-4)39-44(40)58-47(42)55/h35-36,38-39,43H,6-34,37,50H2,1-5H3,(H,56,57)