4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]-2-piperidin-1-yl-benzoic acid

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]-2-piperidin-1-yl-benzoic acid Openeye Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]-2-(1-piperidyl)benzoic acid CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-(1-piperidinyl)benzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-piperidin-1-ylbenzoic acid Traditional Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]-2-piperidino-benzoic acid Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C28H32N2O3/c31-27(23-7-3-1-4-8-23)20-29-16-15-21-9-11-22(12-10-21)24-13-14-25(28(32)33)26(19-24)30-17-5-2-6-18-30/h1,3-4,7-14,19,27,29,31H,2,5-6,15-18,20H2,(H,32,33)