Molecule ID: 25164096

IUPAC Name: 4-(3-ethoxycarbonyl-6,8,8-trimethyl-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl)butanoic acid

Description: The molecule is a member of 7-aminocoumarins, a dicarboxylic acid monoester, an ethyl ester and an organic heterotricyclic compound. It has a role as a fluorochrome.

SMILES: CCOC(=O)c1cc2cc3c(cc2oc1=O)N(CCCC(=O)O)C(C)(C)CC3C

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][=O][N][Branch1][=Branch2][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Ring1][C]

InChI: InChI=1S/C22H27NO6/c1-5-28-20(26)16-10-14-9-15-13(2)12-22(3,4)23(8-6-7-19(24)25)17(15)11-18(14)29-21(16)27/h9-11,13H,5-8,12H2,1-4H3,(H,24,25)

Molecular Properties:
- Polar Surface Area: 93.1 Ų
- LogP: 3.7