4-butyl-6-chloranyl-7-[(3-methoxyphenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(3-methoxyphenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(3-methoxyphenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(3-methoxyphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(3-methoxyphenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-m-anisyloxy-coumarin Formula: C21H21ClO4 MolecularWeight: 372.84204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H21ClO4/c1-3-4-7-15-10-21(23)26-19-12-20(18(22)11-17(15)19)25-13-14-6-5-8-16(9-14)24-2/h5-6,8-12H,3-4,7,13H2,1-2H3