4-azanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-phenylethynyl)benzoic acid

Systemtic Name: 4-azanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-phenylethynyl)benzoic acid Openeye Name: 4-amino-5-(tert-butoxycarbonylamino)-2-(2-phenylethynyl)benzoic acid CAS Name: 4-amino-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(2-phenylethynyl)benzoic acid IUPAC Name: 4-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-phenylethynyl)benzoic acid Traditional Name: 4-amino-5-(tert-butoxycarbonylamino)-2-(2-phenylethynyl)benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)C(=O)O)C#CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)C(=O)O)C#CC2=CC=CC=C2)N

InChI

InChI=1S/C20H20N2O4/c1-20(2,3)26-19(25)22-17-12-15(18(23)24)14(11-16(17)21)10-9-13-7-5-4-6-8-13/h4-8,11-12H,21H2,1-3H3,(H,22,25)(H,23,24)