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

Systemtic Name: ethyl 4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[4-(1-benzyloxycyclopropyl)-3-ethyl-phenyl]ethynyl]benzoate CAS Name: 4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-ethyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]benzoate Traditional Name: 4-[2-[4-(1-benzoxycyclopropyl)-3-ethyl-phenyl]ethynyl]benzoic acid ethyl ester Formula: C29H28O3 MolecularWeight: 424.53082

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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)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(=O)OCC)C3(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28O3/c1-3-25-20-23(11-10-22-12-15-26(16-13-22)28(30)31-4-2)14-17-27(25)29(18-19-29)32-21-24-8-6-5-7-9-24/h5-9,12-17,20H,3-4,18-19,21H2,1-2H3