7-[(4-chlorophenyl)methoxy]-4-methyl-3-(3-methylbutyl)chromen-2-one

Systemtic Name: 7-[(4-chlorophenyl)methoxy]-4-methyl-3-(3-methylbutyl)chromen-2-one Openeye Name: 7-[(4-chlorophenyl)methoxy]-3-isopentyl-4-methyl-chromen-2-one CAS Name: 7-[(4-chlorophenyl)methoxy]-4-methyl-3-(3-methylbutyl)-1-benzopyran-2-one IUPAC Name: 7-[(4-chlorophenyl)methoxy]-4-methyl-3-(3-methylbutyl)chromen-2-one Traditional Name: 7-(4-chlorobenzyl)oxy-3-isoamyl-4-methyl-coumarin Formula: C22H23ClO3 MolecularWeight: 370.86922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)Cl)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)Cl)CCC(C)C

InChI

InChI=1S/C22H23ClO3/c1-14(2)4-10-20-15(3)19-11-9-18(12-21(19)26-22(20)24)25-13-16-5-7-17(23)8-6-16/h5-9,11-12,14H,4,10,13H2,1-3H3