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

Systemtic Name: 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]benzoic acid Openeye Name: 3-[3-(tert-butoxycarbonylamino)prop-1-ynyl]benzoic acid CAS Name: 3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]prop-1-ynyl]benzoic acid IUPAC Name: 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]benzoic acid Traditional Name: 3-[3-(tert-butoxycarbonylamino)prop-1-ynyl]benzoic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4/c1-15(2,3)20-14(19)16-9-5-7-11-6-4-8-12(10-11)13(17)18/h4,6,8,10H,9H2,1-3H3,(H,16,19)(H,17,18)