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

Systemtic Name: (2R,3R)-3-methyl-2-[(7-oxidanyl-2-oxidanylidene-4-propyl-chromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R,3R)-2-[(7-hydroxy-2-oxo-4-propyl-chromen-8-yl)methylammonio]-3-methyl-pentanoate CAS Name: (2R,3R)-2-[(7-hydroxy-2-oxo-4-propyl-1-benzopyran-8-yl)methylammonio]-3-methylpentanoate IUPAC Name: (2R,3R)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]-3-methylpentanoate Traditional Name: (2R,3R)-2-[(7-hydroxy-2-keto-4-propyl-chromen-8-yl)methylammonio]-3-methyl-valerate Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C(C)CC)C(=O)[O-])O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H]([C@H](C)CC)C(=O)[O-])O

InChI

InChI=1S/C19H25NO5/c1-4-6-12-9-16(22)25-18-13(12)7-8-15(21)14(18)10-20-17(19(23)24)11(3)5-2/h7-9,11,17,20-21H,4-6,10H2,1-3H3,(H,23,24)/t11-,17-/m1/s1