4-[4-[[cyclopropyl(ethyl)amino]methyl]-3-methyl-phenyl]-2-phenyl-but-3-ynoic acid

Systemtic Name: 4-[4-[[cyclopropyl(ethyl)amino]methyl]-3-methyl-phenyl]-2-phenyl-but-3-ynoic acid Openeye Name: 4-[4-[[cyclopropyl(ethyl)amino]methyl]-3-methyl-phenyl]-2-phenyl-but-3-ynoic acid CAS Name: 4-[4-[[cyclopropyl(ethyl)amino]methyl]-3-methylphenyl]-2-phenyl-3-butynoic acid IUPAC Name: 4-[4-[[cyclopropyl(ethyl)amino]methyl]-3-methylphenyl]-2-phenylbut-3-ynoic acid Traditional Name: 4-[4-[[cyclopropyl(ethyl)amino]methyl]-3-methyl-phenyl]-2-phenyl-but-3-ynoic acid Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=C(C=C1)C#CC(C2=CC=CC=C2)C(=O)O)C)C3CC3

Isomeric SMILES

CCN(CC1=C(C=C(C=C1)C#CC(C2=CC=CC=C2)C(=O)O)C)C3CC3

InChI

InChI=1S/C23H25NO2/c1-3-24(21-12-13-21)16-20-11-9-18(15-17(20)2)10-14-22(23(25)26)19-7-5-4-6-8-19/h4-9,11,15,21-22H,3,12-13,16H2,1-2H3,(H,25,26)