3-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-prop-2-enyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-prop-2-enyl-phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-[3-allyl-4-(2-ethoxy-2-oxo-ethoxy)phenyl]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[4-(2-ethoxy-2-oxoethoxy)-3-prop-2-enylphenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2-ethoxy-2-oxoethoxy)-3-prop-2-enylphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[3-allyl-4-(2-ethoxy-2-keto-ethoxy)phenyl]-2-(tert-butoxycarbonylamino)propionic acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)CC=C

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)CC=C

InChI

InChI=1S/C21H29NO7/c1-6-8-15-11-14(9-10-17(15)28-13-18(23)27-7-2)12-16(19(24)25)22-20(26)29-21(3,4)5/h6,9-11,16H,1,7-8,12-13H2,2-5H3,(H,22,26)(H,24,25)