4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid CAS Name: 4-[oxo-[4-[1-(4-phenoxyphenyl)ethyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H26N2O4/c1-19(20-11-13-24(14-12-20)32-23-5-3-2-4-6-23)27-15-17-28(18-16-27)25(29)21-7-9-22(10-8-21)26(30)31/h2-14,19H,15-18H2,1H3,(H,30,31)