diethyl 2-[[(Z,3R)-2-cyano-3-(2-fluorophenyl)-4-(triphenylmethyl)oxy-but-1-enyl]amino]propanedioate

Systemtic Name: diethyl 2-[[(Z,3R)-2-cyano-3-(2-fluorophenyl)-4-(triphenylmethyl)oxy-but-1-enyl]amino]propanedioate Openeye Name: diethyl 2-[[(Z,3R)-2-cyano-3-(2-fluorophenyl)-4-trityloxy-but-1-enyl]amino]propanedioate CAS Name: 2-[[(Z,3R)-2-cyano-3-(2-fluorophenyl)-4-(triphenylmethyl)oxybut-1-enyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(Z,3R)-2-cyano-3-(2-fluorophenyl)-4-trityloxybut-1-enyl]amino]propanedioate Traditional Name: 2-[[(Z,3R)-2-cyano-3-(2-fluorophenyl)-4-trityloxy-but-1-enyl]amino]malonic acid diethyl ester Formula: C37H35FN2O5 MolecularWeight: 606.682603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC=C(C#N)C(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N/C=C(\C#N)/[C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C37H35FN2O5/c1-3-43-35(41)34(36(42)44-4-2)40-25-27(24-39)32(31-22-14-15-23-33(31)38)26-45-37(28-16-8-5-9-17-28,29-18-10-6-11-19-29)30-20-12-7-13-21-30/h5-23,25,32,34,40H,3-4,26H2,1-2H3/b27-25+/t32-/m1/s1