7-bromanyl-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one

Systemtic Name: 7-bromanyl-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Openeye Name: 7-bromo-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one CAS Name: 7-bromo-3-(4-chlorophenyl)-4-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-3-(4-chlorophenyl)-4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]chromen-2-one Traditional Name: 7-bromo-3-(4-chlorophenyl)-4-[4-(2-pyrrolidinoethoxy)benzyl]coumarin Formula: C28H25BrClNO3 MolecularWeight: 538.86

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(C(=O)OC4=C3C=CC(=C4)Br)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(C(=O)OC4=C3C=CC(=C4)Br)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H25BrClNO3/c29-21-7-12-24-25(27(28(32)34-26(24)18-21)20-5-8-22(30)9-6-20)17-19-3-10-23(11-4-19)33-16-15-31-13-1-2-14-31/h3-12,18H,1-2,13-17H2