2-[7-chloranyl-1-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-isoindol-1-yl]ethanoate

Systemtic Name: 2-[7-chloranyl-1-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-isoindol-1-yl]ethanoate Openeye Name: 2-[2-(tert-butoxycarbonylamino)-7-chloro-1-ethyl-isoindolin-1-yl]acetate CAS Name: 2-[7-chloro-1-ethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3H-isoindol-1-yl]acetate IUPAC Name: 2-[7-chloro-1-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-isoindol-1-yl]acetate Traditional Name: 2-[2-(tert-butoxycarbonylamino)-7-chloro-1-ethyl-isoindolin-1-yl]acetate Formula: C17H22ClN2O4- MolecularWeight: 353.82058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(CN1NC(=O)OC(C)(C)C)C=CC=C2Cl)CC(=O)[O-]

Isomeric SMILES

CCC1(C2=C(CN1NC(=O)OC(C)(C)C)C=CC=C2Cl)CC(=O)[O-]

InChI

InChI=1S/C17H23ClN2O4/c1-5-17(9-13(21)22)14-11(7-6-8-12(14)18)10-20(17)19-15(23)24-16(2,3)4/h6-8H,5,9-10H2,1-4H3,(H,19,23)(H,21,22)/p-1