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

Systemtic Name: 2-[(7-oxidanyl-2-oxidanylidene-4-propyl-chromen-8-yl)methylazaniumyl]-3-phenyl-propanoate Openeye Name: 2-[(7-hydroxy-2-oxo-4-propyl-chromen-8-yl)methylammonio]-3-phenyl-propanoate CAS Name: 2-[(7-hydroxy-2-oxo-4-propyl-1-benzopyran-8-yl)methylammonio]-3-phenylpropanoate IUPAC Name: 2-[(7-hydroxy-2-oxo-4-propylchromen-8-yl)methylazaniumyl]-3-phenylpropanoate Traditional Name: 2-[(7-hydroxy-2-keto-4-propyl-chromen-8-yl)methylammonio]-3-phenyl-propionate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CC3=CC=CC=C3)C(=O)[O-])O

InChI

InChI=1S/C22H23NO5/c1-2-6-15-12-20(25)28-21-16(15)9-10-19(24)17(21)13-23-18(22(26)27)11-14-7-4-3-5-8-14/h3-5,7-10,12,18,23-24H,2,6,11,13H2,1H3,(H,26,27)