3-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-5-phenylmethoxy-benzoic acid

Systemtic Name: 3-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]-1-oxidanyl-ethyl]-5-phenylmethoxy-benzoic acid Openeye Name: 3-benzyloxy-5-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]benzoic acid CAS Name: 3-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-5-phenylmethoxybenzoic acid IUPAC Name: 3-[1-hydroxy-2-[(2-methyl-1-phenylpropan-2-yl)amino]ethyl]-5-phenylmethoxybenzoic acid Traditional Name: 3-benzoxy-5-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]-1-hydroxy-ethyl]benzoic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=CC(=C2)C(=O)O)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)NCC(C2=CC(=CC(=C2)C(=O)O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C26H29NO4/c1-26(2,16-19-9-5-3-6-10-19)27-17-24(28)21-13-22(25(29)30)15-23(14-21)31-18-20-11-7-4-8-12-20/h3-15,24,27-28H,16-18H2,1-2H3,(H,29,30)