2-[(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-methyl-butanoate

Systemtic Name: 2-[(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-methyl-butanoate Openeye Name: 2-[(4-butyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]-3-methyl-butanoate CAS Name: 2-[(4-butyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]-3-methylbutanoate IUPAC Name: 2-[(4-butyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]-3-methylbutanoate Traditional Name: 2-[(4-butyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]-3-methyl-butyrate Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-4-5-6-12-9-16(22)25-18-13(12)7-8-15(21)14(18)10-20-17(11(2)3)19(23)24/h7-9,11,17,20-21H,4-6,10H2,1-3H3,(H,23,24)