2-[3-(2,4-dimethylphenyl)phenyl]-2-piperazin-1-yl-propanoic acid

Systemtic Name: 2-[3-(2,4-dimethylphenyl)phenyl]-2-piperazin-1-yl-propanoic acid Openeye Name: 2-[3-(2,4-dimethylphenyl)phenyl]-2-piperazin-1-yl-propanoic acid CAS Name: 2-[3-(2,4-dimethylphenyl)phenyl]-2-(1-piperazinyl)propanoic acid IUPAC Name: 2-[3-(2,4-dimethylphenyl)phenyl]-2-piperazin-1-ylpropanoic acid Traditional Name: 2-[3-(2,4-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)C2=CC(=CC=C2)C(C)(C(=O)O)N3CCNCC3)C

Isomeric SMILES

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

InChI

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