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

Systemtic Name: methyl 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-phenylmethoxy-benzoate Openeye Name: methyl 2-benzyloxy-5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzoate CAS Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 5-[2-(tert-butylamino)-1-hydroxyethyl]-2-phenylmethoxybenzoate Traditional Name: 2-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(=C(C=C1)OCC2=CC=CC=C2)C(=O)OC)O

Isomeric SMILES

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

InChI

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