methyl 3-[3-(diethoxyphosphorylmethyl)-7-ethoxy-quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[3-(diethoxyphosphorylmethyl)-7-ethoxy-quinolin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[3-(diethoxyphosphorylmethyl)-7-ethoxy-2-quinolyl]propanoate CAS Name: 3-[3-(diethoxyphosphorylmethyl)-7-ethoxy-2-quinolinyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(diethoxyphosphorylmethyl)-7-ethoxyquinolin-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[3-(diethoxyphosphorylmethyl)-7-ethoxy-2-quinolyl]propionic acid methyl ester Formula: C25H37N2O8P MolecularWeight: 524.543641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)CP(=O)(OCC)OCC)CC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)CP(=O)(OCC)OCC)CC(C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H37N2O8P/c1-8-32-19-12-11-17-13-18(16-36(30,33-9-2)34-10-3)21(26-20(17)14-19)15-22(23(28)31-7)27-24(29)35-25(4,5)6/h11-14,22H,8-10,15-16H2,1-7H3,(H,27,29)