7-butoxy-6-chloranyl-4-methyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-butoxy-6-chloranyl-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-butoxy-6-chloro-4-methyl-chromen-2-one CAS Name: 7-butoxy-6-chloro-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-butoxy-6-chloro-4-methylchromen-2-one Traditional Name: 3-benzyl-7-butoxy-6-chloro-4-methyl-coumarin Formula: C21H21ClO3 MolecularWeight: 356.84264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl

Isomeric SMILES

CCCCOC1=C(C=C2C(=C(C(=O)OC2=C1)CC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C21H21ClO3/c1-3-4-10-24-20-13-19-16(12-18(20)22)14(2)17(21(23)25-19)11-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3