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

Systemtic Name: 4-butyl-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Openeye Name: 4-butyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one CAS Name: 4-butyl-7-[2-oxo-2-[4-(1-pyrrolidinyl)phenyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Traditional Name: 4-butyl-7-[2-keto-2-(4-pyrrolidinophenyl)ethoxy]coumarin Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C25H27NO4/c1-2-3-6-19-15-25(28)30-24-16-21(11-12-22(19)24)29-17-23(27)18-7-9-20(10-8-18)26-13-4-5-14-26/h7-12,15-16H,2-6,13-14,17H2,1H3