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

Systemtic Name: 12-[[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]carbonyl-methyl-amino]octadecanoic acid Openeye Name: 12-[[7-(diethylamino)-2-oxo-chromene-3-carbonyl]-methyl-amino]octadecanoic acid CAS Name: 12-[[[7-(diethylamino)-2-oxo-1-benzopyran-3-yl]-oxomethyl]-methylamino]octadecanoic acid IUPAC Name: 12-[[7-(diethylamino)-2-oxochromene-3-carbonyl]-methylamino]octadecanoic acid Traditional Name: 12-[[7-(diethylamino)-2-keto-chromene-3-carbonyl]-methyl-amino]stearic acid Formula: C33H52N2O5 MolecularWeight: 556.77638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)O)N(C)C(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)O)N(C)C(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

InChI

InChI=1S/C33H52N2O5/c1-5-8-9-16-19-27(20-17-14-12-10-11-13-15-18-21-31(36)37)34(4)32(38)29-24-26-22-23-28(35(6-2)7-3)25-30(26)40-33(29)39/h22-25,27H,5-21H2,1-4H3,(H,36,37)