(4-cyanophenyl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (4-cyanophenyl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (4-cyanophenyl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (4-cyanobenzyl) ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C19H18BrNO4/c1-3-8-24-18-16(20)9-15(10-17(18)23-2)19(22)25-12-14-6-4-13(11-21)5-7-14/h4-7,9-10H,3,8,12H2,1-2H3