4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-(4-methylphenyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-(4-methylphenyl)-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-(p-tolyl)chromen-2-one CAS Name: 7-hydroxy-4-[[4-[2-(1-imidazolyl)ethoxy]phenyl]methyl]-3-(4-methylphenyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3-(4-methylphenyl)chromen-2-one Traditional Name: 7-hydroxy-4-[4-(2-imidazol-1-ylethoxy)benzyl]-3-(p-tolyl)coumarin Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)CC4=CC=C(C=C4)OCCN5C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)CC4=CC=C(C=C4)OCCN5C=CN=C5

InChI

InChI=1S/C28H24N2O4/c1-19-2-6-21(7-3-19)27-25(24-11-8-22(31)17-26(24)34-28(27)32)16-20-4-9-23(10-5-20)33-15-14-30-13-12-29-18-30/h2-13,17-18,31H,14-16H2,1H3