7-[(3-methylphenyl)methoxy]-6-pentyl-4-phenyl-chromen-2-one

Systemtic Name: 7-[(3-methylphenyl)methoxy]-6-pentyl-4-phenyl-chromen-2-one Openeye Name: 7-(m-tolylmethoxy)-6-pentyl-4-phenyl-chromen-2-one CAS Name: 7-[(3-methylphenyl)methoxy]-6-pentyl-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-[(3-methylphenyl)methoxy]-6-pentyl-4-phenylchromen-2-one Traditional Name: 6-amyl-7-(3-methylbenzyl)oxy-4-phenyl-coumarin Formula: C28H28O3 MolecularWeight: 412.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=CC(=C4)C

Isomeric SMILES

CCCCCC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OCC4=CC=CC(=C4)C

InChI

InChI=1S/C28H28O3/c1-3-4-6-14-23-16-25-24(22-12-7-5-8-13-22)17-28(29)31-27(25)18-26(23)30-19-21-11-9-10-20(2)15-21/h5,7-13,15-18H,3-4,6,14,19H2,1-2H3