ditert-butyl 2-(2-oxidanylidene-3-prop-1-en-2-yl-benzimidazol-1-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate

Systemtic Name: ditert-butyl 2-(2-oxidanylidene-3-prop-1-en-2-yl-benzimidazol-1-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate Openeye Name: ditert-butyl 2-(3-isopropenyl-2-oxo-benzimidazol-1-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate CAS Name: 2-[3-(1-methylethenyl)-2-oxo-1-benzimidazolyl]-3-triphenylphosphoranylidenebutanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(2-oxo-3-prop-1-en-2-ylbenzimidazol-1-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate Traditional Name: 2-(3-isopropenyl-2-keto-benzimidazol-1-yl)-3-triphenylphosphoranylidene-succinic acid ditert-butyl ester Formula: C40H43N2O5P MolecularWeight: 662.753581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)N1C2=CC=CC=C2N(C1=O)C(C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=C)N1C2=CC=CC=C2N(C1=O)C(C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C40H43N2O5P/c1-28(2)41-32-26-18-19-27-33(32)42(38(41)45)34(36(43)46-39(3,4)5)35(37(44)47-40(6,7)8)48(29-20-12-9-13-21-29,30-22-14-10-15-23-30)31-24-16-11-17-25-31/h9-27,34H,1H2,2-8H3