2-[4-chloranyl-1-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-isoindol-1-yl]ethanoic acid

Systemtic Name: 2-[4-chloranyl-1-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-isoindol-1-yl]ethanoic acid Openeye Name: 2-[2-(tert-butoxycarbonylamino)-4-chloro-1-ethyl-isoindolin-1-yl]acetic acid CAS Name: 2-[4-chloro-1-ethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3H-isoindol-1-yl]acetic acid IUPAC Name: 2-[4-chloro-1-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-isoindol-1-yl]acetic acid Traditional Name: 2-[2-(tert-butoxycarbonylamino)-4-chloro-1-ethyl-isoindolin-1-yl]acetic acid Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(CN1NC(=O)OC(C)(C)C)C(=CC=C2)Cl)CC(=O)O

Isomeric SMILES

CCC1(C2=C(CN1NC(=O)OC(C)(C)C)C(=CC=C2)Cl)CC(=O)O

InChI

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