Molecule ID: 91742

IUPAC Name: propan-2-yl N-(3,4-diethoxyphenyl)carbamate

Description: The molecule is a carbamate ester that is the isopropyl ester of (3,4-diethoxyphenyl)carbamic acid. A fungicide with strong activity against Botrytis cinerea and benzimidazole-resistant strains of Botryis spp. It has a role as an antifungal agrochemical. It is a carbamate ester, an aromatic ether and a carbanilate fungicide. It derives from an aniline.

SMILES: CCOc1ccc(N=C(O)OC(C)C)cc1OCC

SELFIES: [C][C][O][C][=C][C][=C][Branch1][N][N][=C][Branch1][C][O][O][C][Branch1][C][C][C][C][=C][Ring1][=N][O][C][C]

InChI: InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)

Molecular Properties:
- Polar Surface Area: 56.8 Ų
- LogP: 2.8