2-azanyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-(phenylcarbonyl)benzoic acid

Systemtic Name: 2-azanyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]-3-(phenylcarbonyl)benzoic acid Openeye Name: 2-amino-3-benzoyl-4-[3-(tert-butoxycarbonylamino)propoxy]benzoic acid CAS Name: 2-amino-3-benzoyl-4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]benzoic acid IUPAC Name: 2-amino-3-benzoyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoic acid Traditional Name: 2-amino-3-benzoyl-4-[3-(tert-butoxycarbonylamino)propoxy]benzoic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC1=C(C(=C(C=C1)C(=O)O)N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC1=C(C(=C(C=C1)C(=O)O)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6/c1-22(2,3)30-21(28)24-12-7-13-29-16-11-10-15(20(26)27)18(23)17(16)19(25)14-8-5-4-6-9-14/h4-6,8-11H,7,12-13,23H2,1-3H3,(H,24,28)(H,26,27)