3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-[1-(4-phenoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid CAS Name: 3-[oxo-[4-[1-(4-phenoxyphenyl)ethyl]-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[4-[1-(4-phenoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-[1-(4-phenoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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