tert-butyl (Z,2R)-2-cyano-2-(1-methylindol-3-yl)-5-oxidanylidene-5-phenyl-pent-3-enoate

Systemtic Name: tert-butyl (Z,2R)-2-cyano-2-(1-methylindol-3-yl)-5-oxidanylidene-5-phenyl-pent-3-enoate Openeye Name: tert-butyl (Z,2R)-2-cyano-2-(1-methylindol-3-yl)-5-oxo-5-phenyl-pent-3-enoate CAS Name: (Z,2R)-2-cyano-2-(1-methyl-3-indolyl)-5-oxo-5-phenyl-3-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z,2R)-2-cyano-2-(1-methylindol-3-yl)-5-oxo-5-phenylpent-3-enoate Traditional Name: (Z,2R)-2-cyano-5-keto-2-(1-methylindol-3-yl)-5-phenyl-pent-3-enoic acid tert-butyl ester Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C=CC(=O)C1=CC=CC=C1)(C#N)C2=CN(C3=CC=CC=C32)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@](/C=C\C(=O)C1=CC=CC=C1)(C#N)C2=CN(C3=CC=CC=C32)C

InChI

InChI=1S/C25H24N2O3/c1-24(2,3)30-23(29)25(17-26,15-14-22(28)18-10-6-5-7-11-18)20-16-27(4)21-13-9-8-12-19(20)21/h5-16H,1-4H3/b15-14-/t25-/m0/s1