4-[2-ethoxycarbonyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid

Systemtic Name: 4-[2-ethoxycarbonyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[8-(tert-butoxycarbonylamino)-2-ethoxycarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[2-ethoxycarbonyl-8-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[2-ethoxycarbonyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[8-(tert-butoxycarbonylamino)-2-carbethoxy-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN(C2=C(O1)C(=CC=C2)NC(=O)OC(C)(C)C)CCCC(=O)O

Isomeric SMILES

CCOC(=O)C1CN(C2=C(O1)C(=CC=C2)NC(=O)OC(C)(C)C)CCCC(=O)O

InChI

InChI=1S/C20H28N2O7/c1-5-27-18(25)15-12-22(11-7-10-16(23)24)14-9-6-8-13(17(14)28-15)21-19(26)29-20(2,3)4/h6,8-9,15H,5,7,10-12H2,1-4H3,(H,21,26)(H,23,24)