(E)-10-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylpyrimidin-5-yl)dec-4-enoic acid

Systemtic Name: (E)-10-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylpyrimidin-5-yl)dec-4-enoic acid Openeye Name: (E)-10-(tert-butoxycarbonylamino)-3-(2-methylpyrimidin-5-yl)dec-4-enoic acid CAS Name: (E)-10-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-methyl-5-pyrimidinyl)-4-decenoic acid IUPAC Name: (E)-10-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-methylpyrimidin-5-yl)dec-4-enoic acid Traditional Name: (E)-10-(tert-butoxycarbonylamino)-3-(2-methylpyrimidin-5-yl)dec-4-enoic acid Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C(CC(=O)O)C=CCCCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC=C(C=N1)C(CC(=O)O)/C=C/CCCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O4/c1-15-22-13-17(14-23-15)16(12-18(24)25)10-8-6-5-7-9-11-21-19(26)27-20(2,3)4/h8,10,13-14,16H,5-7,9,11-12H2,1-4H3,(H,21,26)(H,24,25)/b10-8+