2-diethylaminoethyl 2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-[4-(1-oxoisoindolin-2-yl)phenyl]propanoate CAS Name: acetic acid; 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: acetic acid; 2-[4-(1-ketoisoindolin-2-yl)phenyl]propionic acid 2-diethylaminoethyl ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O.CC(=O)O

InChI

InChI=1S/C23H28N2O3.C2H4O2/c1-4-24(5-2)14-15-28-23(27)17(3)18-10-12-20(13-11-18)25-16-19-8-6-7-9-21(19)22(25)26;1-2(3)4/h6-13,17H,4-5,14-16H2,1-3H3;1H3,(H,3,4)