tert-butyl 3-(3-methylimidazol-4-yl)-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)propanoate

Systemtic Name: tert-butyl 3-(3-methylimidazol-4-yl)-3-oxidanylidene-2-(triphenyl-$l^{5}-phosphanylidene)propanoate Openeye Name: tert-butyl 3-(3-methylimidazol-4-yl)-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoate CAS Name: 3-(3-methyl-4-imidazolyl)-3-oxo-2-triphenylphosphoranylidenepropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-methylimidazol-4-yl)-3-oxo-2-(triphenyl-$l^{5}-phosphanylidene)propanoate Traditional Name: 3-keto-3-(3-methylimidazol-4-yl)-2-triphenylphosphoranylidene-propionic acid tert-butyl ester Formula: C29H29N2O3P MolecularWeight: 484.525921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN=CN4C

Isomeric SMILES

CC(C)(C)OC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CN=CN4C

InChI

InChI=1S/C29H29N2O3P/c1-29(2,3)34-28(33)27(26(32)25-20-30-21-31(25)4)35(22-14-8-5-9-15-22,23-16-10-6-11-17-23)24-18-12-7-13-19-24/h5-21H,1-4H3