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

Systemtic Name: 3-[4-(4-phenoxyphenyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(4-phenoxyphenyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[oxo-[4-(4-phenoxyphenyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[4-(4-phenoxyphenyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(4-phenoxyphenyl)piperazine-1-carbonyl]benzoic acid Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C24H22N2O4/c27-23(18-5-4-6-19(17-18)24(28)29)26-15-13-25(14-16-26)20-9-11-22(12-10-20)30-21-7-2-1-3-8-21/h1-12,17H,13-16H2,(H,28,29)