methyl 5-[(3-chlorophenyl)methoxy]-2-(4-cyanobutoxy)benzoate

Systemtic Name: methyl 5-[(3-chlorophenyl)methoxy]-2-(4-cyanobutoxy)benzoate Openeye Name: methyl 5-[(3-chlorophenyl)methoxy]-2-(4-cyanobutoxy)benzoate CAS Name: 5-[(3-chlorophenyl)methoxy]-2-(4-cyanobutoxy)benzoic acid methyl ester IUPAC Name: methyl 5-[(3-chlorophenyl)methoxy]-2-(4-cyanobutoxy)benzoate Traditional Name: 5-(3-chlorobenzyl)oxy-2-(4-cyanobutoxy)benzoic acid methyl ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)OCC2=CC(=CC=C2)Cl)OCCCCC#N

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)OCC2=CC(=CC=C2)Cl)OCCCCC#N

InChI

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