2-[1-ethyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxidanylidene-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxidanylidene-quinolin-3-yl]ethanoic acid Openeye Name: 2-[7-[3-(tert-butoxycarbonylamino)propoxy]-1-ethyl-2-oxo-3-quinolyl]acetic acid CAS Name: 2-[1-ethyl-7-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]-2-oxo-3-quinolinyl]acetic acid IUPAC Name: 2-[1-ethyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-2-oxoquinolin-3-yl]acetic acid Traditional Name: 2-[7-[3-(tert-butoxycarbonylamino)propoxy]-1-ethyl-2-keto-3-quinolyl]acetic acid Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)OCCCNC(=O)OC(C)(C)C)C=C(C1=O)CC(=O)O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)OCCCNC(=O)OC(C)(C)C)C=C(C1=O)CC(=O)O

InChI

InChI=1S/C21H28N2O6/c1-5-23-17-13-16(28-10-6-9-22-20(27)29-21(2,3)4)8-7-14(17)11-15(19(23)26)12-18(24)25/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,22,27)(H,24,25)