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

Systemtic Name: 3-(4-methylphenyl)-7-oxidanyl-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one Openeye Name: 7-hydroxy-3-(p-tolyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one CAS Name: 7-hydroxy-3-(4-methylphenyl)-4-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-3-(4-methylphenyl)-4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]chromen-2-one Traditional Name: 7-hydroxy-3-(p-tolyl)-4-[4-(2-pyrrolidinoethoxy)phenyl]coumarin Formula: C28H27NO4 MolecularWeight: 441.51828

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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)C4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)C4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C28H27NO4/c1-19-4-6-21(7-5-19)27-26(24-13-10-22(30)18-25(24)33-28(27)31)20-8-11-23(12-9-20)32-17-16-29-14-2-3-15-29/h4-13,18,30H,2-3,14-17H2,1H3