4-butyl-8-methyl-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one

Systemtic Name: 4-butyl-8-methyl-7-[2-oxidanylidene-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Openeye Name: 4-butyl-8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one CAS Name: 4-butyl-8-methyl-7-[2-oxo-2-[4-(1-pyrrolidinyl)phenyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]chromen-2-one Traditional Name: 4-butyl-7-[2-keto-2-(4-pyrrolidinophenyl)ethoxy]-8-methyl-coumarin Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C26H29NO4/c1-3-4-7-20-16-25(29)31-26-18(2)24(13-12-22(20)26)30-17-23(28)19-8-10-21(11-9-19)27-14-5-6-15-27/h8-13,16H,3-7,14-15,17H2,1-2H3