(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propanoate

Systemtic Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propanoate Openeye Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate CAS Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propanoate IUPAC Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate Traditional Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[(2-ketochromene-3-carbonyl)amino]propionate Formula: C21H18NO7- MolecularWeight: 396.37012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC3=CC=CC=C3OC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC3=CC=CC=C3OC2=O)OC

InChI

InChI=1S/C21H19NO7/c1-27-17-8-7-12(10-18(17)28-2)15(11-19(23)24)22-20(25)14-9-13-5-3-4-6-16(13)29-21(14)26/h3-10,15H,11H2,1-2H3,(H,22,25)(H,23,24)/p-1/t15-/m0/s1