diethyl 2-[(E)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-prop-2-enyl]propanedioate

Systemtic Name: diethyl 2-[(E)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-prop-2-enyl]propanedioate Openeye Name: diethyl 2-[(E)-1-(tert-butoxycarbonylamino)-3-phenyl-allyl]propanedioate CAS Name: 2-[(E)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylprop-2-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylprop-2-enyl]propanedioate Traditional Name: 2-[(E)-1-(tert-butoxycarbonylamino)-3-phenyl-allyl]malonic acid diethyl ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C=CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(/C=C/C1=CC=CC=C1)NC(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C21H29NO6/c1-6-26-18(23)17(19(24)27-7-2)16(22-20(25)28-21(3,4)5)14-13-15-11-9-8-10-12-15/h8-14,16-17H,6-7H2,1-5H3,(H,22,25)/b14-13+