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

Systemtic Name: ethyl 4-[4-[2-methyl-2-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]propyl]phenoxy]benzoate Openeye Name: ethyl 4-[4-[2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]-2-methyl-propyl]phenoxy]benzoate CAS Name: 4-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-2-methylpropyl]phenoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-2-methylpropyl]phenoxy]benzoate Traditional Name: 4-[4-[2-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]-2-methyl-propyl]phenoxy]benzoic acid ethyl ester Formula: C28H33NO5 MolecularWeight: 463.56532

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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=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO5/c1-4-32-27(31)22-12-16-26(17-13-22)34-25-14-10-21(11-15-25)18-28(2,3)29-19-23(30)20-33-24-8-6-5-7-9-24/h5-17,23,29-30H,4,18-20H2,1-3H3/t23-/m0/s1