2-[(2R)-2-methyl-4-[(R)-phenyl-[3-(2-pyridin-4-ylethynyl)phenyl]methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[3-(2-pyridin-4-ylethynyl)phenyl]methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[3-[2-(4-pyridyl)ethynyl]phenyl]methyl]piperazin-1-yl]acetic acid CAS Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[3-(2-pyridin-4-ylethynyl)phenyl]methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[3-(2-pyridin-4-ylethynyl)phenyl]methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[(2R)-2-methyl-4-[(R)-phenyl-[3-[2-(4-pyridyl)ethynyl]phenyl]methyl]piperazino]acetic acid Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2/c1-21-19-30(17-16-29(21)20-26(31)32)27(24-7-3-2-4-8-24)25-9-5-6-23(18-25)11-10-22-12-14-28-15-13-22/h2-9,12-15,18,21,27H,16-17,19-20H2,1H3,(H,31,32)/t21-,27-/m1/s1