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

Systemtic Name: (2R)-2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]pentanoate CAS Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylammonio]pentanoate IUPAC Name: (2R)-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]pentanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]valerate Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C)O

Isomeric SMILES

CCC[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C)O

InChI

InChI=1S/C16H19NO5/c1-3-4-12(16(20)21)17-8-11-13(18)6-5-10-9(2)7-14(19)22-15(10)11/h5-7,12,17-18H,3-4,8H2,1-2H3,(H,20,21)/t12-/m1/s1