(2-methoxy-2-oxidanylidene-ethyl) 4-[butyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 4-[butyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate Openeye Name: (2-methoxy-2-oxo-ethyl) 4-[butyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate CAS Name: 4-[butyl-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]amino]-5-pyrimidinecarboxylic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 4-[butyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylate Traditional Name: 4-[butyl-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]amino]pyrimidine-5-carboxylic acid (2-keto-2-methoxy-ethyl) ester Formula: C45H41N7O4 MolecularWeight: 743.85154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC=NC=C7C(=O)OCC(=O)OC

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=NC=NC=C7C(=O)OCC(=O)OC

InChI

InChI=1S/C45H41N7O4/c1-3-4-28-51(42-40(29-46-32-47-42)44(54)56-31-41(53)55-2)30-33-24-26-34(27-25-33)38-22-14-15-23-39(38)43-48-49-50-52(43)45(35-16-8-5-9-17-35,36-18-10-6-11-19-36)37-20-12-7-13-21-37/h5-27,29,32H,3-4,28,30-31H2,1-2H3