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

Systemtic Name: 2-[4-[[(3R)-3-methyl-4-phenylmethoxycarbonyl-piperazin-1-yl]methyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[(3R)-4-benzyloxycarbonyl-3-methyl-piperazin-1-yl]methyl]phenyl]acetic acid CAS Name: 2-[4-[[(3R)-3-methyl-4-phenylmethoxycarbonyl-1-piperazinyl]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[[(3R)-3-methyl-4-phenylmethoxycarbonylpiperazin-1-yl]methyl]phenyl]acetic acid Traditional Name: 2-[4-[[(3R)-4-carbobenzoxy-3-methyl-piperazino]methyl]phenyl]acetic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)OCC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C22H26N2O4/c1-17-14-23(15-19-9-7-18(8-10-19)13-21(25)26)11-12-24(17)22(27)28-16-20-5-3-2-4-6-20/h2-10,17H,11-16H2,1H3,(H,25,26)/t17-/m1/s1