tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanylpropyl)amino]ethyl]benzoate

Systemtic Name: tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl-(3-oxidanylpropyl)amino]ethyl]benzoate Openeye Name: tert-butyl 3-[1-[tert-butoxycarbonyl(3-hydroxypropyl)amino]ethyl]benzoate CAS Name: 3-[1-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]benzoate Traditional Name: 3-[1-[tert-butoxycarbonyl(3-hydroxypropyl)amino]ethyl]benzoic acid tert-butyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C(=O)OC(C)(C)C)N(CCCO)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC(=C1)C(=O)OC(C)(C)C)N(CCCO)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO5/c1-15(22(12-9-13-23)19(25)27-21(5,6)7)16-10-8-11-17(14-16)18(24)26-20(2,3)4/h8,10-11,14-15,23H,9,12-13H2,1-7H3