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

Systemtic Name: (2R)-2-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylammonio]pentanoate CAS Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methylammonio]pentanoate IUPAC Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylazaniumyl]pentanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methylammonio]valerate Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

Isomeric SMILES

CCC[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

InChI

InChI=1S/C21H21NO5/c1-2-6-17(21(25)26)22-12-16-18(23)10-9-14-15(11-19(24)27-20(14)16)13-7-4-3-5-8-13/h3-5,7-11,17,22-23H,2,6,12H2,1H3,(H,25,26)/t17-/m1/s1