2-[4-(2,5-dimethylphenyl)phenyl]-2-piperazin-1-yl-propanoic acid

Systemtic Name: 2-[4-(2,5-dimethylphenyl)phenyl]-2-piperazin-1-yl-propanoic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)phenyl]-2-piperazin-1-yl-propanoic acid CAS Name: 2-[4-(2,5-dimethylphenyl)phenyl]-2-(1-piperazinyl)propanoic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)phenyl]-2-piperazin-1-ylpropanoic acid Traditional Name: 2-[4-(2,5-dimethylphenyl)phenyl]-2-piperazino-propionic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)C(C)(C(=O)O)N3CCNCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CC=C(C=C2)C(C)(C(=O)O)N3CCNCC3

InChI

InChI=1S/C21H26N2O2/c1-15-4-5-16(2)19(14-15)17-6-8-18(9-7-17)21(3,20(24)25)23-12-10-22-11-13-23/h4-9,14,22H,10-13H2,1-3H3,(H,24,25)