4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4,5,6-tetrahydropyrimidin-6-yl]benzoic acid

Systemtic Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4,5,6-tetrahydropyrimidin-6-yl]benzoic acid Openeye Name: 4-[2-(tert-butoxycarbonylamino)-1,4,5,6-tetrahydropyrimidin-6-yl]benzoic acid CAS Name: 4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,4,5,6-tetrahydropyrimidin-6-yl]benzoic acid IUPAC Name: 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4,5,6-tetrahydropyrimidin-6-yl]benzoic acid Traditional Name: 4-[2-(tert-butoxycarbonylamino)-1,4,5,6-tetrahydropyrimidin-6-yl]benzoic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NCCC(N1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NCCC(N1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)19-14-17-9-8-12(18-14)10-4-6-11(7-5-10)13(20)21/h4-7,12H,8-9H2,1-3H3,(H,20,21)(H2,17,18,19,22)