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

Systemtic Name: 2-ethoxy-3-methyl-4-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]benzoic acid Openeye Name: 2-ethoxy-4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]-3-methyl-benzoic acid CAS Name: 2-ethoxy-4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-3-methylbenzoic acid IUPAC Name: 2-ethoxy-4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-3-methylbenzoic acid Traditional Name: 2-ethoxy-4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]-3-methyl-benzoic acid Formula: C26H29NO4 MolecularWeight: 419.51276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1C)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1C)C2=CC=C(C=C2)CCNC[C@@H](C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C26H29NO4/c1-3-31-25-18(2)22(13-14-23(25)26(29)30)20-11-9-19(10-12-20)15-16-27-17-24(28)21-7-5-4-6-8-21/h4-14,24,27-28H,3,15-17H2,1-2H3,(H,29,30)/t24-/m0/s1