4-butyl-6-chloranyl-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[2-oxo-2-[4-(1-pyrrolidinyl)phenyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-[2-keto-2-(4-pyrrolidinophenyl)ethoxy]coumarin Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C25H26ClNO4/c1-2-3-6-18-13-25(29)31-23-15-24(21(26)14-20(18)23)30-16-22(28)17-7-9-19(10-8-17)27-11-4-5-12-27/h7-10,13-15H,2-6,11-12,16H2,1H3