(4-oxidanylidene-4-phenyl-butyl) 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (4-oxo-4-phenyl-butyl) 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: 3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (4-keto-4-phenyl-butyl) ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCCC(=O)C2=CC=CC=C2)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)OCCCC(=O)C2=CC=CC=C2)OCC#N

InChI

InChI=1S/C22H21NO5/c1-26-21-16-17(9-11-20(21)27-15-13-23)10-12-22(25)28-14-5-8-19(24)18-6-3-2-4-7-18/h2-4,6-7,9-12,16H,5,8,14-15H2,1H3