3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]benzoic acid

Systemtic Name: 3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]benzoic acid Openeye Name: 3,5-bis[3-(tert-butoxycarbonylamino)prop-1-ynyl]benzoic acid CAS Name: 3,5-bis[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-ynyl]benzoic acid IUPAC Name: 3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]benzoic acid Traditional Name: 3,5-bis[3-(tert-butoxycarbonylamino)prop-1-ynyl]benzoic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC#CC1=CC(=CC(=C1)C(=O)O)C#CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC#CC1=CC(=CC(=C1)C(=O)O)C#CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O6/c1-22(2,3)30-20(28)24-11-7-9-16-13-17(15-18(14-16)19(26)27)10-8-12-25-21(29)31-23(4,5)6/h13-15H,11-12H2,1-6H3,(H,24,28)(H,25,29)(H,26,27)