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

Systemtic Name: 3-butyl-4-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]benzoic acid Openeye Name: 3-butyl-4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]benzoic acid CAS Name: 3-butyl-4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzoic acid IUPAC Name: 3-butyl-4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]benzoic acid Traditional Name: 3-butyl-4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]benzoic acid Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O

Isomeric SMILES

CCCCC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCNC[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C27H31NO3/c1-2-3-7-23-18-24(27(30)31)14-15-25(23)21-12-10-20(11-13-21)16-17-28-19-26(29)22-8-5-4-6-9-22/h4-6,8-15,18,26,28-29H,2-3,7,16-17,19H2,1H3,(H,30,31)/t26-/m0/s1