ethyl 4-[4-[2-methyl-2-[[(2S)-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]propyl]phenoxy]benzoate

Systemtic Name: ethyl 4-[4-[2-methyl-2-[[(2S)-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]propyl]phenoxy]benzoate Openeye Name: ethyl 4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-2-methyl-propyl]phenoxy]benzoate CAS Name: 4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-2-methylpropyl]phenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-2-methylpropyl]phenoxy]benzoate Traditional Name: 4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]-2-methyl-propyl]phenoxy]benzoic acid ethyl ester Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(C)(C)NCC(COC3=CC=C(C=C3)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(C)(C)NC[C@@H](COC3=CC=C(C=C3)O)O

InChI

InChI=1S/C28H33NO6/c1-4-33-27(32)21-7-13-26(14-8-21)35-25-11-5-20(6-12-25)17-28(2,3)29-18-23(31)19-34-24-15-9-22(30)10-16-24/h5-16,23,29-31H,4,17-19H2,1-3H3/t23-/m0/s1