methyl 4-[[3-(4-ethoxy-3-methoxy-phenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[3-(4-ethoxy-3-methoxy-phenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoyl]amino]benzoate Openeye Name: methyl 4-[[3-(4-ethoxy-3-methoxy-phenyl)-3-(1-oxoisoindolin-2-yl)propanoyl]amino]benzoate CAS Name: 4-[[3-(4-ethoxy-3-methoxyphenyl)-1-oxo-3-(3-oxo-1H-isoindol-2-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-ethoxy-3-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoyl]amino]benzoate Traditional Name: 4-[[3-(4-ethoxy-3-methoxy-phenyl)-3-(1-ketoisoindolin-2-yl)propanoyl]amino]benzoic acid methyl ester Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)C(=O)OC)N3CC4=CC=CC=C4C3=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)NC2=CC=C(C=C2)C(=O)OC)N3CC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C28H28N2O6/c1-4-36-24-14-11-19(15-25(24)34-2)23(30-17-20-7-5-6-8-22(20)27(30)32)16-26(31)29-21-12-9-18(10-13-21)28(33)35-3/h5-15,23H,4,16-17H2,1-3H3,(H,29,31)