CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OC
Name: 3-(1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoic acid
SMILES: CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)OC

Molecular Processing

Molecular formula
C20H19NO6
Molecular weight
369.37
Exact mass
369.1212
XLogP
2.91
TPSA
93.14
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
96.1

Supplementary Information

InChIKey: IRYSEMPQXFLMBJ-UHFFFAOYSA-N
Synonyme
CHEMBL473983SCHEMBL3120500IRYSEMPQXFLMBJ-UHFFFAOYSA-N3-(3-ethoxy-4-methoxyphenyl)-3-phthalimido-propanoic acid3-(3-ethoxy-4-methoxyphenyl)-3-phthalimidopropanoic acid3-(1,3-dioxoisoindolin-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoic acid
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