[4-[[1,3-dimethoxy-4-(triphenylmethyl)piperazin-2-yl]methyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[[1,3-dimethoxy-4-(triphenylmethyl)piperazin-2-yl]methyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(1,3-dimethoxy-4-trityl-piperazin-2-yl)methyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[[1,3-dimethoxy-4-(triphenylmethyl)-2-piperazinyl]methyl]phenyl] ester IUPAC Name: [4-[(1,3-dimethoxy-4-tritylpiperazin-2-yl)methyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(1,3-dimethoxy-4-trityl-piperazin-2-yl)methyl]phenyl] ester Formula: C38H37N3O4 MolecularWeight: 599.71808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(N(CCN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)CC5=CC=C(C=C5)OC(=O)C6=CN=CC=C6

Isomeric SMILES

COC1C(N(CCN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)CC5=CC=C(C=C5)OC(=O)C6=CN=CC=C6

InChI

InChI=1S/C38H37N3O4/c1-43-36-35(27-29-20-22-34(23-21-29)45-37(42)30-13-12-24-39-28-30)41(44-2)26-25-40(36)38(31-14-6-3-7-15-31,32-16-8-4-9-17-32)33-18-10-5-11-19-33/h3-24,28,35-36H,25-27H2,1-2H3