Molecule ID: 24755551

IUPAC Name: methyl (E)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-phenoxyquinolin-6-yl)prop-2-enoate

Description: The molecule is a member of quinolines, a carbamate ester, a methyl ester and an aromatic ether. It derives from a tert-butanol and a 2-aminoacrylic acid.

SMILES: COC(=O)/C(=C\c1ccc2nc(Oc3ccccc3)ccc2c1)N=C(O)OC(C)(C)C

SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][O][=C][\C][=C][C][=C][N][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=N][=C][Ring1][P][N][=C][Branch1][C][O][O][C][Branch1][C][C][Branch1][C][C][C]

InChI: InChI=1S/C24H24N2O5/c1-24(2,3)31-23(28)26-20(22(27)29-4)15-16-10-12-19-17(14-16)11-13-21(25-19)30-18-8-6-5-7-9-18/h5-15H,1-4H3,(H,26,28)/b20-15+

Molecular Properties:
- Polar Surface Area: 86.8 Ų
- LogP: 5.1