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

Systemtic Name: 1-[4-(diethylamino)-2-oxidanyl-phenyl]-1-(2-ethoxy-4-methyl-5-phenylazanyl-phenyl)-3-oxidanylidene-2-benzofuran-5-carboxylic acid Openeye Name: 1-(5-anilino-2-ethoxy-4-methyl-phenyl)-1-[4-(diethylamino)-2-hydroxy-phenyl]-3-oxo-isobenzofuran-5-carboxylic acid CAS Name: 1-(5-anilino-2-ethoxy-4-methylphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-5-isobenzofurancarboxylic acid IUPAC Name: 1-(5-anilino-2-ethoxy-4-methylphenyl)-1-[4-(diethylamino)-2-hydroxyphenyl]-3-oxo-2-benzofuran-5-carboxylic acid Traditional Name: 1-(5-anilino-2-ethoxy-4-methyl-phenyl)-1-[4-(diethylamino)-2-hydroxy-phenyl]-3-keto-phthalan-5-carboxylic acid Formula: C34H34N2O6 MolecularWeight: 566.64356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=C(C=C3)C(=O)O)C(=O)O2)C4=CC(=C(C=C4OCC)C)NC5=CC=CC=C5)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2(C3=C(C=C(C=C3)C(=O)O)C(=O)O2)C4=CC(=C(C=C4OCC)C)NC5=CC=CC=C5)O

InChI

InChI=1S/C34H34N2O6/c1-5-36(6-2)24-14-16-27(30(37)19-24)34(26-15-13-22(32(38)39)18-25(26)33(40)42-34)28-20-29(21(4)17-31(28)41-7-3)35-23-11-9-8-10-12-23/h8-20,35,37H,5-7H2,1-4H3,(H,38,39)