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

Systemtic Name: (2R,3S)-3-methyl-2-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methylazaniumyl]pentanoate Openeye Name: (2R,3S)-2-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylammonio]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[(7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methylammonio]-3-methylpentanoate IUPAC Name: (2R,3S)-2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylazaniumyl]-3-methylpentanoate Traditional Name: (2R,3S)-2-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methylammonio]-3-methyl-valerate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-3-13(2)20(22(26)27)23-12-17-18(24)10-9-15-16(11-19(25)28-21(15)17)14-7-5-4-6-8-14/h4-11,13,20,23-24H,3,12H2,1-2H3,(H,26,27)/t13-,20+/m0/s1