(4-cyanophenyl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (4-cyanophenyl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (4-cyanophenyl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (4-cyanobenzyl) ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC=C(C=C2)C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=CC=C(C=C2)C#N)OCC

InChI

InChI=1S/C20H20ClNO4/c1-3-9-25-19-17(21)10-16(11-18(19)24-4-2)20(23)26-13-15-7-5-14(12-22)6-8-15/h5-8,10-11H,3-4,9,13H2,1-2H3