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

Systemtic Name: (2R,3R)-2-[(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-methyl-pentanoate Openeye Name: (2R,3R)-2-[(4-butyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]-3-methyl-pentanoate CAS Name: (2R,3R)-2-[(4-butyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]-3-methylpentanoate IUPAC Name: (2R,3R)-2-[(4-butyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]-3-methylpentanoate Traditional Name: (2R,3R)-2-[(4-butyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]-3-methyl-valerate Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-4-6-7-13-10-17(23)26-19-14(13)8-9-16(22)15(19)11-21-18(20(24)25)12(3)5-2/h8-10,12,18,21-22H,4-7,11H2,1-3H3,(H,24,25)/t12-,18-/m1/s1