tert-butyl 4-[2-cyano-7-(4-hydroxyphenyl)heptylidene]cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: tert-butyl 4-[2-cyano-7-(4-hydroxyphenyl)heptylidene]cyclohexa-2,5-diene-1-carboxylate Openeye Name: tert-butyl 4-[2-cyano-7-(4-hydroxyphenyl)heptylidene]cyclohexa-2,5-diene-1-carboxylate CAS Name: 4-[2-cyano-7-(4-hydroxyphenyl)heptylidene]-1-cyclohexa-2,5-dienecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-cyano-7-(4-hydroxyphenyl)heptylidene]cyclohexa-2,5-diene-1-carboxylate Traditional Name: 4-[2-cyano-7-(4-hydroxyphenyl)heptylidene]cyclohexa-2,5-diene-1-carboxylic acid tert-butyl ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C=CC(=CC(CCCCCC2=CC=C(C=C2)O)C#N)C=C1

Isomeric SMILES

CC(C)(C)OC(=O)C1C=CC(=CC(CCCCCC2=CC=C(C=C2)O)C#N)C=C1

InChI

InChI=1S/C25H31NO3/c1-25(2,3)29-24(28)22-13-9-20(10-14-22)17-21(18-26)8-6-4-5-7-19-11-15-23(27)16-12-19/h9-17,21-22,27H,4-8H2,1-3H3