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

Systemtic Name: (2R,3R)-2-[(4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-methyl-pentanoate Openeye Name: (2R,3R)-2-[(4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]-3-methyl-pentanoate CAS Name: (2R,3R)-2-[(4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]-3-methylpentanoate IUPAC Name: (2R,3R)-2-[(4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]-3-methylpentanoate Traditional Name: (2R,3R)-2-[(4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]-3-methyl-valerate Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C(C)CC)C(=O)[O-])O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@H]([C@H](C)CC)C(=O)[O-])O

InChI

InChI=1S/C18H23NO5/c1-4-10(3)16(18(22)23)19-9-13-14(20)7-6-12-11(5-2)8-15(21)24-17(12)13/h6-8,10,16,19-20H,4-5,9H2,1-3H3,(H,22,23)/t10-,16-/m1/s1