ethyl 3-(4-ethoxy-3-methoxy-phenyl)-3-[[3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-(4-ethoxy-3-methoxy-phenyl)-3-[[3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindol-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-(4-ethoxy-3-methoxy-phenyl)-3-[[3-oxo-2-(3-pyridylmethyl)isoindoline-4-carbonyl]amino]propanoate CAS Name: 3-(4-ethoxy-3-methoxyphenyl)-3-[[oxo-[3-oxo-2-(3-pyridinylmethyl)-1H-isoindol-4-yl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-ethoxy-3-methoxyphenyl)-3-[[3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carbonyl]amino]propanoate Traditional Name: 3-(4-ethoxy-3-methoxy-phenyl)-3-[[3-keto-2-(3-pyridylmethyl)isoindoline-4-carbonyl]amino]propionic acid ethyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)OCC)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)OCC)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)OC

InChI

InChI=1S/C29H31N3O6/c1-4-37-24-12-11-20(14-25(24)36-3)23(15-26(33)38-5-2)31-28(34)22-10-6-9-21-18-32(29(35)27(21)22)17-19-8-7-13-30-16-19/h6-14,16,23H,4-5,15,17-18H2,1-3H3,(H,31,34)