4-[2-[4-[1-(phenethylamino)cyclopropyl]phenyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-[1-(phenethylamino)cyclopropyl]phenyl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-[1-(phenethylamino)cyclopropyl]phenyl]ethynyl]benzoic acid CAS Name: 4-[2-[4-[1-(phenethylamino)cyclopropyl]phenyl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-[1-(phenethylamino)cyclopropyl]phenyl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-[1-(phenethylamino)cyclopropyl]phenyl]ethynyl]benzoic acid Formula: C26H23NO2 MolecularWeight: 381.46632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC1(C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C(=O)O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H23NO2/c28-25(29)23-12-8-21(9-13-23)6-7-22-10-14-24(15-11-22)26(17-18-26)27-19-16-20-4-2-1-3-5-20/h1-5,8-15,27H,16-19H2,(H,28,29)