3-(4-chloranyl-2-methoxy-5-phenylazanyl-phenyl)-3-[4-(diethylamino)-2-oxidanyl-phenyl]-2-benzofuran-1-one

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-phenylazanyl-phenyl)-3-[4-(diethylamino)-2-oxidanyl-phenyl]-2-benzofuran-1-one Openeye Name: 3-(5-anilino-4-chloro-2-methoxy-phenyl)-3-[4-(diethylamino)-2-hydroxy-phenyl]isobenzofuran-1-one CAS Name: 3-(5-anilino-4-chloro-2-methoxyphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-1-isobenzofuranone IUPAC Name: 3-(5-anilino-4-chloro-2-methoxyphenyl)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-benzofuran-1-one Traditional Name: 3-(5-anilino-4-chloro-2-methoxy-phenyl)-3-[4-(diethylamino)-2-hydroxy-phenyl]phthalide Formula: C31H29ClN2O4 MolecularWeight: 529.02596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4OC)Cl)NC5=CC=CC=C5)O

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4OC)Cl)NC5=CC=CC=C5)O

InChI

InChI=1S/C31H29ClN2O4/c1-4-34(5-2)21-15-16-24(28(35)17-21)31(23-14-10-9-13-22(23)30(36)38-31)25-18-27(26(32)19-29(25)37-3)33-20-11-7-6-8-12-20/h6-19,33,35H,4-5H2,1-3H3