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

Systemtic Name: 4,8-dimethyl-7-pentoxy-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4,8-dimethyl-7-pentoxy-chromen-2-one CAS Name: 4,8-dimethyl-7-pentoxy-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,8-dimethyl-7-pentoxychromen-2-one Traditional Name: 7-amoxy-3-benzyl-4,8-dimethyl-coumarin Formula: C23H26O3 MolecularWeight: 350.45074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCOC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C23H26O3/c1-4-5-9-14-25-21-13-12-19-16(2)20(15-18-10-7-6-8-11-18)23(24)26-22(19)17(21)3/h6-8,10-13H,4-5,9,14-15H2,1-3H3