7-(diethylamino)-4-methyl-3-[4-(1-oxidanyl-3-oxidanylidene-butyl)phenyl]chromen-2-one

Systemtic Name: 7-(diethylamino)-4-methyl-3-[4-(1-oxidanyl-3-oxidanylidene-butyl)phenyl]chromen-2-one Openeye Name: 7-(diethylamino)-3-[4-(1-hydroxy-3-oxo-butyl)phenyl]-4-methyl-chromen-2-one CAS Name: 7-(diethylamino)-3-[4-(1-hydroxy-3-oxobutyl)phenyl]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-(diethylamino)-3-[4-(1-hydroxy-3-oxobutyl)phenyl]-4-methylchromen-2-one Traditional Name: 7-(diethylamino)-3-[4-(1-hydroxy-3-keto-butyl)phenyl]-4-methyl-coumarin Formula: C24H27NO4 MolecularWeight: 393.47548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)C(CC(=O)C)O)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)C(CC(=O)C)O)C

InChI

InChI=1S/C24H27NO4/c1-5-25(6-2)19-11-12-20-16(4)23(24(28)29-22(20)14-19)18-9-7-17(8-10-18)21(27)13-15(3)26/h7-12,14,21,27H,5-6,13H2,1-4H3