(4-cyanophenyl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: (4-cyanophenyl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: (4-cyanophenyl)methyl 4-isopentyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(3-methylbutoxy)benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxy-3-methoxy-benzoic acid (4-cyanobenzyl) ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C21H23NO4/c1-15(2)10-11-25-19-9-8-18(12-20(19)24-3)21(23)26-14-17-6-4-16(13-22)5-7-17/h4-9,12,15H,10-11,14H2,1-3H3