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

Systemtic Name: 3-[7-chloranyl-4-(cyclopropylcarbonylamino)-3-oxidanylidene-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid Openeye Name: 3-[4-chloro-7-(cyclopropanecarbonylamino)-1-oxo-isoindolin-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid CAS Name: 3-[7-chloro-4-[[cyclopropyl(oxo)methyl]amino]-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoic acid IUPAC Name: 3-[7-chloro-4-(cyclopropanecarbonylamino)-3-oxo-1H-isoindol-2-yl]-3-(3-ethoxy-4-methoxyphenyl)propanoic acid Traditional Name: 3-[4-chloro-7-(cyclopropanecarbonylamino)-1-keto-isoindolin-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propionic acid Formula: C24H25ClN2O6 MolecularWeight: 472.9181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O6/c1-3-33-20-10-14(6-9-19(20)32-2)18(11-21(28)29)27-12-15-16(25)7-8-17(22(15)24(27)31)26-23(30)13-4-5-13/h6-10,13,18H,3-5,11-12H2,1-2H3,(H,26,30)(H,28,29)