(2R)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumylpropanoate

Systemtic Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumylpropanoate Openeye Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ammoniopropanoate CAS Name: (2R)-2-[[2-(3,4-dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]ammonio]propanoate IUPAC Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]azaniumylpropanoate Traditional Name: (2R)-2-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ammoniopropionate Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=[NH+]C(C)C(=O)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=[NH+][C@H](C)C(=O)[O-])C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21NO5/c1-12-5-7-17-15(9-12)16(22-13(2)21(23)24)11-19(27-17)14-6-8-18(25-3)20(10-14)26-4/h5-11,13H,1-4H3,(H,23,24)/t13-/m1/s1