[4-[(E)-(2-oxidanylidenecyclohexylidene)methyl]phenyl] 3-phenylpropanoate

Systemtic Name: [4-[(E)-(2-oxidanylidenecyclohexylidene)methyl]phenyl] 3-phenylpropanoate Openeye Name: [4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(2-oxocyclohexylidene)methyl]phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [4-[(E)-(2-ketocyclohexylidene)methyl]phenyl] ester Formula: C22H22O3 MolecularWeight: 334.40828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(=CC2=CC=C(C=C2)OC(=O)CCC3=CC=CC=C3)C1

Isomeric SMILES

C1CCC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)CCC3=CC=CC=C3)/C1

InChI

InChI=1S/C22H22O3/c23-21-9-5-4-8-19(21)16-18-10-13-20(14-11-18)25-22(24)15-12-17-6-2-1-3-7-17/h1-3,6-7,10-11,13-14,16H,4-5,8-9,12,15H2/b19-16+