4-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]benzoic acid

Systemtic Name: 4-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]benzoic acid Openeye Name: 4-[7-(diethylamino)-4-methyl-2-oxo-chromen-3-yl]benzoic acid CAS Name: 4-[7-(diethylamino)-4-methyl-2-oxo-1-benzopyran-3-yl]benzoic acid IUPAC Name: 4-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]benzoic acid Traditional Name: 4-[7-(diethylamino)-2-keto-4-methyl-chromen-3-yl]benzoic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H21NO4/c1-4-22(5-2)16-10-11-17-13(3)19(21(25)26-18(17)12-16)14-6-8-15(9-7-14)20(23)24/h6-12H,4-5H2,1-3H3,(H,23,24)