ethyl 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoate Traditional Name: 4-[2-[3-tert-butyl-4-(1-ethoxycyclopropyl)phenyl]ethynyl]benzoic acid ethyl ester Formula: C26H30O3 MolecularWeight: 390.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C3(CC3)OCC)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C3(CC3)OCC)C(C)(C)C

InChI

InChI=1S/C26H30O3/c1-6-28-24(27)21-13-10-19(11-14-21)8-9-20-12-15-22(23(18-20)25(3,4)5)26(16-17-26)29-7-2/h10-15,18H,6-7,16-17H2,1-5H3