7-(butylamino)-4-methyl-3-(phenylmethyl)chromen-2-one

Systemtic Name: 7-(butylamino)-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-(butylamino)-4-methyl-chromen-2-one CAS Name: 7-(butylamino)-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-(butylamino)-4-methylchromen-2-one Traditional Name: 3-benzyl-7-(butylamino)-4-methyl-coumarin Formula: C21H23NO2 MolecularWeight: 321.41282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCNC1=CC2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H23NO2/c1-3-4-12-22-17-10-11-18-15(2)19(21(23)24-20(18)14-17)13-16-8-6-5-7-9-16/h5-11,14,22H,3-4,12-13H2,1-2H3