ethyl 4-(3,4-dichlorophenyl)-4-isocyano-6-(oxan-2-yloxy)hexanoate

Systemtic Name: ethyl 4-(3,4-dichlorophenyl)-4-isocyano-6-(oxan-2-yloxy)hexanoate Openeye Name: ethyl 4-(3,4-dichlorophenyl)-4-isocyano-6-tetrahydropyran-2-yloxy-hexanoate CAS Name: 4-(3,4-dichlorophenyl)-4-isocyano-6-(2-oxanyloxy)hexanoic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dichlorophenyl)-4-isocyano-6-(oxan-2-yloxy)hexanoate Traditional Name: 4-(3,4-dichlorophenyl)-4-isocyano-6-tetrahydropyran-2-yloxy-hexanoic acid ethyl ester Formula: C20H25Cl2NO4 MolecularWeight: 414.3228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(CCOC1CCCCO1)(C2=CC(=C(C=C2)Cl)Cl)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CCC(CCOC1CCCCO1)(C2=CC(=C(C=C2)Cl)Cl)[N+]#[C-]

InChI

InChI=1S/C20H25Cl2NO4/c1-3-25-18(24)9-10-20(23-2,15-7-8-16(21)17(22)14-15)11-13-27-19-6-4-5-12-26-19/h7-8,14,19H,3-6,9-13H2,1H3