[4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl] ethanoate

Systemtic Name: [4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl] ethanoate Openeye Name: [4-[2-[4-(1-benzyloxycyclopropyl)-3-methyl-phenyl]ethynyl]phenyl] acetate CAS Name: acetic acid [4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl] ester IUPAC Name: [4-[2-[3-methyl-4-(1-phenylmethoxycyclopropyl)phenyl]ethynyl]phenyl] acetate Traditional Name: acetic acid [4-[2-[4-(1-benzoxycyclopropyl)-3-methyl-phenyl]ethynyl]phenyl] ester Formula: C27H24O3 MolecularWeight: 396.47766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)OC(=O)C)C3(CC3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)OC(=O)C)C3(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24O3/c1-20-18-23(9-8-22-10-13-25(14-11-22)30-21(2)28)12-15-26(20)27(16-17-27)29-19-24-6-4-3-5-7-24/h3-7,10-15,18H,16-17,19H2,1-2H3