(3S)-3-(4-ethoxy-3-methoxy-phenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: (3S)-3-(4-ethoxy-3-methoxy-phenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: (3S)-3-(4-ethoxy-3-methoxy-phenyl)-3-(1-oxoisoindolin-2-yl)propanoic acid CAS Name: (3S)-3-(4-ethoxy-3-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid IUPAC Name: (3S)-3-(4-ethoxy-3-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: (3S)-3-(4-ethoxy-3-methoxy-phenyl)-3-(1-ketoisoindolin-2-yl)propionic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CC(=O)O)N2CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C20H21NO5/c1-3-26-17-9-8-13(10-18(17)25-2)16(11-19(22)23)21-12-14-6-4-5-7-15(14)20(21)24/h4-10,16H,3,11-12H2,1-2H3,(H,22,23)/t16-/m0/s1