2-[1-ethyl-7-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-2-oxidanylidene-quinolin-3-yl]ethanoic acid

Systemtic Name: 2-[1-ethyl-7-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-2-oxidanylidene-quinolin-3-yl]ethanoic acid Openeye Name: 2-[7-[4-(tert-butoxycarbonylamino)butoxy]-1-ethyl-2-oxo-3-quinolyl]acetic acid CAS Name: 2-[1-ethyl-7-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butoxy]-2-oxo-3-quinolinyl]acetic acid IUPAC Name: 2-[1-ethyl-7-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]-2-oxoquinolin-3-yl]acetic acid Traditional Name: 2-[7-[4-(tert-butoxycarbonylamino)butoxy]-1-ethyl-2-keto-3-quinolyl]acetic acid Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O6/c1-5-24-18-14-17(9-8-15(18)12-16(20(24)27)13-19(25)26)29-11-7-6-10-23-21(28)30-22(2,3)4/h8-9,12,14H,5-7,10-11,13H2,1-4H3,(H,23,28)(H,25,26)