ethyl 4-[2-[4-(1-ethoxycyclopropyl)-3-propan-2-yl-phenyl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[4-(1-ethoxycyclopropyl)-3-propan-2-yl-phenyl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[4-(1-ethoxycyclopropyl)-3-isopropyl-phenyl]ethynyl]benzoate CAS Name: 4-[2-[4-(1-ethoxycyclopropyl)-3-propan-2-ylphenyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(1-ethoxycyclopropyl)-3-propan-2-ylphenyl]ethynyl]benzoate Traditional Name: 4-[2-[4-(1-ethoxycyclopropyl)-3-isopropyl-phenyl]ethynyl]benzoic acid ethyl ester Formula: C25H28O3 MolecularWeight: 376.48802

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H28O3/c1-5-27-24(26)21-12-9-19(10-13-21)7-8-20-11-14-23(22(17-20)18(3)4)25(15-16-25)28-6-2/h9-14,17-18H,5-6,15-16H2,1-4H3