4,8-dimethyl-3-(phenylmethyl)-7-propoxy-chromen-2-one

Systemtic Name: 4,8-dimethyl-3-(phenylmethyl)-7-propoxy-chromen-2-one Openeye Name: 3-benzyl-4,8-dimethyl-7-propoxy-chromen-2-one CAS Name: 4,8-dimethyl-3-(phenylmethyl)-7-propoxy-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,8-dimethyl-7-propoxychromen-2-one Traditional Name: 3-benzyl-4,8-dimethyl-7-propoxy-coumarin Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

InChI

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