4,7-dimethyl-3-(phenylmethyl)-5-propoxy-chromen-2-one

Systemtic Name: 4,7-dimethyl-3-(phenylmethyl)-5-propoxy-chromen-2-one Openeye Name: 3-benzyl-4,7-dimethyl-5-propoxy-chromen-2-one CAS Name: 4,7-dimethyl-3-(phenylmethyl)-5-propoxy-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,7-dimethyl-5-propoxychromen-2-one Traditional Name: 3-benzyl-4,7-dimethyl-5-propoxy-coumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCCOC1=CC(=CC2=C1C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

InChI

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