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

Systemtic Name: 4-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]-3-propyl-benzoic acid Openeye Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]-3-propyl-benzoic acid CAS Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-3-propylbenzoic acid IUPAC Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-3-propylbenzoic acid Traditional Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]-3-propyl-benzoic acid Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)O)C2=CC=C(C=C2)CCNC[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO3/c1-2-6-22-17-23(26(29)30)13-14-24(22)20-11-9-19(10-12-20)15-16-27-18-25(28)21-7-4-3-5-8-21/h3-5,7-14,17,25,27-28H,2,6,15-16,18H2,1H3,(H,29,30)/t25-/m0/s1