(E)-3-[2-[(1R)-1-[(2R)-3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]ethyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[(1R)-1-[(2R)-3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]ethyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-[(1R)-1-[(2R)-3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]ethyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-[(1R)-1-[(2R)-2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]ethyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-[(1R)-1-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]ethyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-[(1R)-1-[(2R)-3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]ethyl]phenyl]acrylic acid Formula: C28H33NO4 MolecularWeight: 447.56592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1C=CC(=O)O)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

C[C@H](C1=CC=CC=C1/C=C/C(=O)O)OC[C@@H](CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C28H33NO4/c1-20(26-11-7-6-9-23(26)14-15-27(31)32)33-19-25(30)18-29-28(2,3)17-21-12-13-22-8-4-5-10-24(22)16-21/h4-16,20,25,29-30H,17-19H2,1-3H3,(H,31,32)/b15-14+/t20-,25-/m1/s1