2-oxidanyl-5-[1-oxidanyl-4-(4-phenylpiperazin-1-yl)butyl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[1-oxidanyl-4-(4-phenylpiperazin-1-yl)butyl]benzoic acid Openeye Name: 2-hydroxy-5-[1-hydroxy-4-(4-phenylpiperazin-1-yl)butyl]benzoic acid CAS Name: 2-hydroxy-5-[1-hydroxy-4-(4-phenyl-1-piperazinyl)butyl]benzoic acid IUPAC Name: 2-hydroxy-5-[1-hydroxy-4-(4-phenylpiperazin-1-yl)butyl]benzoic acid Traditional Name: 2-hydroxy-5-[1-hydroxy-4-(4-phenylpiperazino)butyl]benzoic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC(=C(C=C2)O)C(=O)O)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC(=C(C=C2)O)C(=O)O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4/c24-19(16-8-9-20(25)18(15-16)21(26)27)7-4-10-22-11-13-23(14-12-22)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,19,24-25H,4,7,10-14H2,(H,26,27)