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

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]ethyl]phenyl]-2-phenyl-benzoic acid Openeye Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]-2-phenyl-benzoic acid CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-phenylbenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-2-phenylbenzoic acid Traditional Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]ethyl]phenyl]-2-phenyl-benzoic acid Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)CCNCC(C4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C29H27NO3/c31-28(24-9-5-2-6-10-24)20-30-18-17-21-11-13-22(14-12-21)25-15-16-26(29(32)33)27(19-25)23-7-3-1-4-8-23/h1-16,19,28,30-31H,17-18,20H2,(H,32,33)