(2R)-3-methyl-2-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]butanoate

Systemtic Name: (2R)-3-methyl-2-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]butanoate Openeye Name: (2R)-2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-chromen-8-yl)methylammonio]-3-methyl-butanoate CAS Name: (2R)-2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[(7-hydroxy-2-methyl-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[(7-hydroxy-4-keto-2-methyl-3-phenoxy-chromen-8-yl)methylammonio]-3-methyl-butyrate Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]C(C(C)C)C(=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+][C@H](C(C)C)C(=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C22H23NO6/c1-12(2)18(22(26)27)23-11-16-17(24)10-9-15-19(25)20(13(3)28-21(15)16)29-14-7-5-4-6-8-14/h4-10,12,18,23-24H,11H2,1-3H3,(H,26,27)/t18-/m1/s1