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

Systemtic Name: (2S)-3-methyl-2-[(7-oxidanyl-2-oxidanylidene-4-propyl-chromen-8-yl)methylazaniumyl]butanoate Openeye Name: (2S)-2-[(7-hydroxy-2-oxo-4-propyl-chromen-8-yl)methylammonio]-3-methyl-butanoate CAS Name: (2S)-2-[(7-hydroxy-2-oxo-4-propyl-1-benzopyran-8-yl)methylammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[(7-hydroxy-2-keto-4-propyl-chromen-8-yl)methylammonio]-3-methyl-butyrate Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C(C)C)C(=O)[O-])O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@@H](C(C)C)C(=O)[O-])O

InChI

InChI=1S/C18H23NO5/c1-4-5-11-8-15(21)24-17-12(11)6-7-14(20)13(17)9-19-16(10(2)3)18(22)23/h6-8,10,16,19-20H,4-5,9H2,1-3H3,(H,22,23)/t16-/m0/s1