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

Systemtic Name: 7-butoxy-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-butoxy-4-methyl-chromen-2-one CAS Name: 7-butoxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-butoxy-4-methylchromen-2-one Traditional Name: 3-benzyl-7-butoxy-4-methyl-coumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H22O3/c1-3-4-12-23-17-10-11-18-15(2)19(21(22)24-20(18)14-17)13-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3