3-[4-(diethylamino)-2-oxidanyl-phenyl]-3-(2-ethoxy-5-phenylazanyl-phenyl)-1-oxidanylidene-2-benzofuran-5-carboxylic acid

Systemtic Name: 3-[4-(diethylamino)-2-oxidanyl-phenyl]-3-(2-ethoxy-5-phenylazanyl-phenyl)-1-oxidanylidene-2-benzofuran-5-carboxylic acid Openeye Name: 3-(5-anilino-2-ethoxy-phenyl)-3-[4-(diethylamino)-2-hydroxy-phenyl]-1-oxo-isobenzofuran-5-carboxylic acid CAS Name: 3-(5-anilino-2-ethoxyphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-5-isobenzofurancarboxylic acid IUPAC Name: 3-(5-anilino-2-ethoxyphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-oxo-2-benzofuran-5-carboxylic acid Traditional Name: 3-(5-anilino-2-ethoxy-phenyl)-3-[4-(diethylamino)-2-hydroxy-phenyl]-1-keto-phthalan-5-carboxylic acid Formula: C33H32N2O6 MolecularWeight: 552.61698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=CC(=C4)NC5=CC=CC=C5)OCC)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=CC(=C3)C(=O)O)C(=O)O2)C4=C(C=CC(=C4)NC5=CC=CC=C5)OCC)O

InChI

InChI=1S/C33H32N2O6/c1-4-35(5-2)24-14-16-26(29(36)20-24)33(27-18-21(31(37)38)12-15-25(27)32(39)41-33)28-19-23(13-17-30(28)40-6-3)34-22-10-8-7-9-11-22/h7-20,34,36H,4-6H2,1-3H3,(H,37,38)