4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanoic acid

Systemtic Name: 4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanoic acid Openeye Name: 4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanoic acid CAS Name: 4-methyl-2-[3-[4-(1-piperazinyl)phenyl]phenyl]pentanoic acid IUPAC Name: 4-methyl-2-[3-(4-piperazin-1-ylphenyl)phenyl]pentanoic acid Traditional Name: 4-methyl-2-[3-(4-piperazinophenyl)phenyl]valeric acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-16(2)14-21(22(25)26)19-5-3-4-18(15-19)17-6-8-20(9-7-17)24-12-10-23-11-13-24/h3-9,15-16,21,23H,10-14H2,1-2H3,(H,25,26)