methyl 3-[7-chloranyl-4-(cyclopropylcarbonylamino)-3-oxidanylidene-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoate

Systemtic Name: methyl 3-[7-chloranyl-4-(cyclopropylcarbonylamino)-3-oxidanylidene-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoate Openeye Name: methyl 3-[4-chloro-7-(cyclopropanecarbonylamino)-1-oxo-isoindolin-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoate CAS Name: 3-[7-chloro-4-[[cyclopropyl(oxo)methyl]amino]-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-[7-chloro-4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoate Traditional Name: 3-[4-chloro-7-(cyclopropanecarbonylamino)-1-keto-isoindolin-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propionic acid methyl ester Formula: C25H27ClN2O6 MolecularWeight: 486.94468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)OC)N2CC3=C(C=CC(=C3C2=O)NC(=O)C4CC4)Cl)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)OC)N2CC3=C(C=CC(=C3C2=O)NC(=O)C4CC4)Cl)OC

InChI

InChI=1S/C25H27ClN2O6/c1-4-34-21-11-15(7-10-20(21)32-2)19(12-22(29)33-3)28-13-16-17(26)8-9-18(23(16)25(28)31)27-24(30)14-5-6-14/h7-11,14,19H,4-6,12-13H2,1-3H3,(H,27,30)