4-(2-chlorophenyl)-8-phenethyl-7-[2-[3-(phenylmethyl)imidazol-4-yl]ethoxy]chromen-2-one

Systemtic Name: 4-(2-chlorophenyl)-8-phenethyl-7-[2-[3-(phenylmethyl)imidazol-4-yl]ethoxy]chromen-2-one Openeye Name: 7-[2-(3-benzylimidazol-4-yl)ethoxy]-4-(2-chlorophenyl)-8-phenethyl-chromen-2-one CAS Name: 4-(2-chlorophenyl)-8-phenethyl-7-[2-[3-(phenylmethyl)-4-imidazolyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-(3-benzylimidazol-4-yl)ethoxy]-4-(2-chlorophenyl)-8-phenethylchromen-2-one Traditional Name: 7-[2-(3-benzylimidazol-4-yl)ethoxy]-4-(2-chlorophenyl)-8-phenethyl-coumarin Formula: C35H29ClN2O3 MolecularWeight: 561.06936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4Cl)OCCC5=CN=CN5CC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4Cl)OCCC5=CN=CN5CC6=CC=CC=C6

InChI

InChI=1S/C35H29ClN2O3/c36-32-14-8-7-13-28(32)31-21-34(39)41-35-29(31)17-18-33(30(35)16-15-25-9-3-1-4-10-25)40-20-19-27-22-37-24-38(27)23-26-11-5-2-6-12-26/h1-14,17-18,21-22,24H,15-16,19-20,23H2