3-butyl-4-[(4-methoxyphenyl)methyl]isochromen-1-one

Systemtic Name: 3-butyl-4-[(4-methoxyphenyl)methyl]isochromen-1-one Openeye Name: 3-butyl-4-[(4-methoxyphenyl)methyl]isochromen-1-one CAS Name: 3-butyl-4-[(4-methoxyphenyl)methyl]-2-benzopyran-1-one IUPAC Name: 3-butyl-4-[(4-methoxyphenyl)methyl]isochromen-1-one Traditional Name: 3-butyl-4-p-anisyl-isocoumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2C(=O)O1)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2C(=O)O1)CC3=CC=C(C=C3)OC

InChI

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