(3S)-3-(3-methoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: (3S)-3-(3-methoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: (3S)-3-(3-methoxyphenyl)-3-(1-oxoisoindolin-2-yl)propanoic acid CAS Name: (3S)-3-(3-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid IUPAC Name: (3S)-3-(3-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: (3S)-3-(1-ketoisoindolin-2-yl)-3-(3-methoxyphenyl)propionic acid Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CC(=O)O)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO4/c1-23-14-7-4-6-12(9-14)16(10-17(20)21)19-11-13-5-2-3-8-15(13)18(19)22/h2-9,16H,10-11H2,1H3,(H,20,21)/t16-/m0/s1