2-[3-[(2-chloranylquinolin-3-yl)methoxycarbonylamino]-4-ethoxy-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 2-[3-[(2-chloranylquinolin-3-yl)methoxycarbonylamino]-4-ethoxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-[3-[(2-chloro-3-quinolyl)methoxycarbonylamino]-4-ethoxy-phenyl]-2-isopropoxy-propanoic acid CAS Name: 2-[3-[[(2-chloro-3-quinolinyl)methoxy-oxomethyl]amino]-4-ethoxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 2-[3-[(2-chloroquinolin-3-yl)methoxycarbonylamino]-4-ethoxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-[3-[(2-chloro-3-quinolyl)methoxycarbonylamino]-4-ethoxy-phenyl]-2-isopropoxy-propionic acid Formula: C25H27ClN2O6 MolecularWeight: 486.94468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)(C(=O)O)OC(C)C)NC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)(C(=O)O)OC(C)C)NC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

InChI=1S/C25H27ClN2O6/c1-5-32-21-11-10-18(25(4,23(29)30)34-15(2)3)13-20(21)28-24(31)33-14-17-12-16-8-6-7-9-19(16)27-22(17)26/h6-13,15H,5,14H2,1-4H3,(H,28,31)(H,29,30)