ethyl 6-[butyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[butyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[butyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate CAS Name: 6-[butyl-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[butyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylate Traditional Name: 6-[butyl-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]amino]nicotinic acid ethyl ester Formula: C45H42N6O2 MolecularWeight: 698.85398

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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=C(C=C7)C(=O)OCC

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=C(C=C7)C(=O)OCC

InChI

InChI=1S/C45H42N6O2/c1-3-5-31-50(42-30-29-36(32-46-42)44(52)53-4-2)33-34-25-27-35(28-26-34)40-23-15-16-24-41(40)43-47-48-49-51(43)45(37-17-9-6-10-18-37,38-19-11-7-12-20-38)39-21-13-8-14-22-39/h6-30,32H,3-5,31,33H2,1-2H3