3-(4-chlorophenyl)-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(4-chlorophenyl)-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(4-chlorophenyl)-7-hydroxy-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]chromen-2-one CAS Name: 3-(4-chlorophenyl)-7-hydroxy-4-[4-[2-(1-methyl-2-pyrrolidinyl)ethoxy]phenyl]-1-benzopyran-2-one IUPAC Name: 3-(4-chlorophenyl)-7-hydroxy-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]chromen-2-one Traditional Name: 3-(4-chlorophenyl)-7-hydroxy-4-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]coumarin Formula: C28H26ClNO4 MolecularWeight: 475.96334

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCOC2=CC=C(C=C2)C3=C(C(=O)OC4=C3C=CC(=C4)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CN1CCCC1CCOC2=CC=C(C=C2)C3=C(C(=O)OC4=C3C=CC(=C4)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H26ClNO4/c1-30-15-2-3-21(30)14-16-33-23-11-6-18(7-12-23)26-24-13-10-22(31)17-25(24)34-28(32)27(26)19-4-8-20(29)9-5-19/h4-13,17,21,31H,2-3,14-16H2,1H3