methyl 3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-phenylmethoxy-benzoate

Systemtic Name: methyl 3-[2-(tert-butylamino)-1-oxidanyl-ethyl]-5-phenylmethoxy-benzoate Openeye Name: methyl 3-benzyloxy-5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzoate CAS Name: 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-phenylmethoxybenzoate Traditional Name: 3-benzoxy-5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzoic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=CC(=C1)C(=O)OC)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=CC(=C1)C(=O)OC)OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27NO4/c1-21(2,3)22-13-19(23)16-10-17(20(24)25-4)12-18(11-16)26-14-15-8-6-5-7-9-15/h5-12,19,22-23H,13-14H2,1-4H3