2-[(2R)-2-methyl-4-[(R)-phenyl-[4-(2-phenylethynyl)phenyl]methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[4-(2-phenylethynyl)phenyl]methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[4-(2-phenylethynyl)phenyl]methyl]piperazin-1-yl]acetic acid CAS Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[4-(2-phenylethynyl)phenyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[4-(2-phenylethynyl)phenyl]methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[4-(2-phenylethynyl)phenyl]methyl]piperazino]acetic acid Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1CC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2/c1-22-20-30(19-18-29(22)21-27(31)32)28(25-10-6-3-7-11-25)26-16-14-24(15-17-26)13-12-23-8-4-2-5-9-23/h2-11,14-17,22,28H,18-21H2,1H3,(H,31,32)/t22-,28-/m1/s1