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

Systemtic Name: 4-butyl-6-chloranyl-7-[(2-methoxyphenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(2-methoxyphenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(2-methoxyphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(2-methoxyphenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-o-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=C3OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=CC=C3OC

InChI

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