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

Systemtic Name: (2R)-4-methyl-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]-4-methyl-pentanoate CAS Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methylammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylazaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methylammonio]-4-methyl-valerate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-13(2)10-18(22(26)27)23-12-17-19(24)9-8-15-16(11-20(25)28-21(15)17)14-6-4-3-5-7-14/h3-9,11,13,18,23-24H,10,12H2,1-2H3,(H,26,27)/t18-/m1/s1