(2R)-2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]butanoate

Systemtic Name: (2R)-2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]butanoate Openeye Name: (2R)-2-[4-(1-oxoisoindolin-2-yl)phenyl]butanoate CAS Name: (2R)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoate IUPAC Name: (2R)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoate Traditional Name: (2R)-2-[4-(1-ketoisoindolin-2-yl)phenyl]butyrate Formula: C18H16NO3- MolecularWeight: 294.32454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)/p-1/t15-/m1/s1