3-[6-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]propanoic acid

Systemtic Name: 3-[6-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl]-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]propanoic acid Openeye Name: 3-[6-[2-(tert-butoxycarbonylamino)-3-ethoxy-3-oxo-propyl]-3-oxo-4H-1,4-benzoxazin-2-yl]propanoic acid CAS Name: 3-[6-[3-ethoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl]-3-oxo-4H-1,4-benzoxazin-2-yl]propanoic acid IUPAC Name: 3-[6-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-3-oxo-4H-1,4-benzoxazin-2-yl]propanoic acid Traditional Name: 3-[6-[2-(tert-butoxycarbonylamino)-3-ethoxy-3-keto-propyl]-3-keto-4H-1,4-benzoxazin-2-yl]propionic acid Formula: C21H28N2O8 MolecularWeight: 436.45562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(C=C1)OC(C(=O)N2)CCC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(C=C1)OC(C(=O)N2)CCC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N2O8/c1-5-29-19(27)14(23-20(28)31-21(2,3)4)11-12-6-7-15-13(10-12)22-18(26)16(30-15)8-9-17(24)25/h6-7,10,14,16H,5,8-9,11H2,1-4H3,(H,22,26)(H,23,28)(H,24,25)