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

Systemtic Name: (2S)-2-[(4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-4-methyl-pentanoate Openeye Name: (2S)-2-[(4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]-4-methyl-pentanoate CAS Name: (2S)-2-[(4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]-4-methylpentanoate IUPAC Name: (2S)-2-[(4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]-4-methylpentanoate Traditional Name: (2S)-2-[(4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]-4-methyl-valerate Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC(C)C)C(=O)[O-])O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+][C@@H](CC(C)C)C(=O)[O-])O

InChI

InChI=1S/C18H23NO5/c1-4-11-8-16(21)24-17-12(11)5-6-15(20)13(17)9-19-14(18(22)23)7-10(2)3/h5-6,8,10,14,19-20H,4,7,9H2,1-3H3,(H,22,23)/t14-/m0/s1