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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)OCC)C3(CC3)OC(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)OCC)C3(CC3)OC(C)C

InChI

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