3-(4-heptoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: 3-(4-heptoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: 3-(4-heptoxyphenyl)-3-(1-oxoisoindolin-2-yl)propanoic acid CAS Name: 3-(4-heptoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid IUPAC Name: 3-(4-heptoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: 3-(4-heptoxyphenyl)-3-(1-ketoisoindolin-2-yl)propionic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C24H29NO4/c1-2-3-4-5-8-15-29-20-13-11-18(12-14-20)22(16-23(26)27)25-17-19-9-6-7-10-21(19)24(25)28/h6-7,9-14,22H,2-5,8,15-17H2,1H3,(H,26,27)