(2S)-4-methyl-2-[(7-methyl-5-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)methylazaniumyl]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(7-methyl-5-oxidanyl-2-oxidanylidene-4-phenyl-chromen-6-yl)methylazaniumyl]pentanoate Openeye Name: (2S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenyl-chromen-6-yl)methylammonio]-4-methyl-pentanoate CAS Name: (2S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenyl-1-benzopyran-6-yl)methylammonio]-4-methylpentanoate IUPAC Name: (2S)-2-[(5-hydroxy-7-methyl-2-oxo-4-phenylchromen-6-yl)methylazaniumyl]-4-methylpentanoate Traditional Name: (2S)-2-[(5-hydroxy-2-keto-7-methyl-4-phenyl-chromen-6-yl)methylammonio]-4-methyl-valerate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH2+]C(CC(C)C)C(=O)[O-])O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C3=CC=CC=C3)C(=C1C[NH2+][C@@H](CC(C)C)C(=O)[O-])O

InChI

InChI=1S/C23H25NO5/c1-13(2)9-18(23(27)28)24-12-17-14(3)10-19-21(22(17)26)16(11-20(25)29-19)15-7-5-4-6-8-15/h4-8,10-11,13,18,24,26H,9,12H2,1-3H3,(H,27,28)/t18-/m0/s1