bis(phenylmethyl) 2-ethanoyl-3-[1-(pyrimidin-2-yldiazenyl)ethyl]butanedioate

Systemtic Name: bis(phenylmethyl) 2-ethanoyl-3-[1-(pyrimidin-2-yldiazenyl)ethyl]butanedioate Openeye Name: dibenzyl 2-acetyl-3-(1-pyrimidin-2-ylazoethyl)butanedioate CAS Name: 2-acetyl-3-[1-(2-pyrimidinylazo)ethyl]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-acetyl-3-[1-(pyrimidin-2-yldiazenyl)ethyl]butanedioate Traditional Name: 2-acetyl-3-[1-(2-pyrimidylazo)ethyl]succinic acid dibenzyl ester Formula: C26H26N4O5 MolecularWeight: 474.50844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C(=O)C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=NC3=NC=CC=N3

Isomeric SMILES

CC(C(C(C(=O)C)C(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=NC3=NC=CC=N3

InChI

InChI=1S/C26H26N4O5/c1-18(29-30-26-27-14-9-15-28-26)22(24(32)34-16-20-10-5-3-6-11-20)23(19(2)31)25(33)35-17-21-12-7-4-8-13-21/h3-15,18,22-23H,16-17H2,1-2H3