(E)-3-[4-[2-[3-[[cyclopropyl(methyl)amino]methyl]phenyl]ethynyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-[3-[[cyclopropyl(methyl)amino]methyl]phenyl]ethynyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-[3-[[cyclopropyl(methyl)amino]methyl]phenyl]ethynyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-[3-[[cyclopropyl(methyl)amino]methyl]phenyl]ethynyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-[3-[[cyclopropyl(methyl)amino]methyl]phenyl]ethynyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-[3-[[cyclopropyl(methyl)amino]methyl]phenyl]ethynyl]phenyl]acrylic acid Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC(=C1)C#CC2=CC=C(C=C2)C=CC(=O)O)C3CC3

Isomeric SMILES

CN(CC1=CC=CC(=C1)C#CC2=CC=C(C=C2)/C=C/C(=O)O)C3CC3

InChI

InChI=1S/C22H21NO2/c1-23(21-12-13-21)16-20-4-2-3-19(15-20)10-9-17-5-7-18(8-6-17)11-14-22(24)25/h2-8,11,14-15,21H,12-13,16H2,1H3,(H,24,25)/b14-11+