2-[(4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-phenyl-propanoate

Systemtic Name: 2-[(4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: 2-[(4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]-3-phenyl-propanoate CAS Name: 2-[(4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]-3-phenylpropanoate IUPAC Name: 2-[(4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]-3-phenylpropanoate Traditional Name: 2-[(4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]-3-phenyl-propionate Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])O

InChI

InChI=1S/C21H21NO5/c1-2-14-11-19(24)27-20-15(14)8-9-18(23)16(20)12-22-17(21(25)26)10-13-6-4-3-5-7-13/h3-9,11,17,22-23H,2,10,12H2,1H3,(H,25,26)