2-[(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-4-methyl-pentanoate

Systemtic Name: 2-[(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-4-methyl-pentanoate Openeye Name: 2-[(4-butyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]-4-methyl-pentanoate CAS Name: 2-[(4-butyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]-4-methylpentanoate IUPAC Name: 2-[(4-butyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]-4-methylpentanoate Traditional Name: 2-[(4-butyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]-4-methyl-valerate Formula: C20H27NO5 MolecularWeight: 361.43208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC(C)C)C(=O)[O-])O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC(C)C)C(=O)[O-])O

InChI

InChI=1S/C20H27NO5/c1-4-5-6-13-10-18(23)26-19-14(13)7-8-17(22)15(19)11-21-16(20(24)25)9-12(2)3/h7-8,10,12,16,21-22H,4-6,9,11H2,1-3H3,(H,24,25)