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

Systemtic Name: 2-oxidanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]benzoic acid Openeye Name: 2-hydroxy-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]benzoic acid CAS Name: 2-hydroxy-5-[1-oxo-5-(4-phenyl-1-piperazinyl)pentyl]benzoic acid IUPAC Name: 2-hydroxy-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]benzoic acid Traditional Name: 2-hydroxy-5-[5-(4-phenylpiperazino)pentanoyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(=O)C2=CC(=C(C=C2)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCCC(=O)C2=CC(=C(C=C2)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4/c25-20(17-9-10-21(26)19(16-17)22(27)28)8-4-5-11-23-12-14-24(15-13-23)18-6-2-1-3-7-18/h1-3,6-7,9-10,16,26H,4-5,8,11-15H2,(H,27,28)