methyl 6-[3-methyl-1-oxidanyl-1-[1-(triphenylmethyl)imidazol-4-yl]butyl]naphthalene-2-carboxylate

Systemtic Name: methyl 6-[3-methyl-1-oxidanyl-1-[1-(triphenylmethyl)imidazol-4-yl]butyl]naphthalene-2-carboxylate Openeye Name: methyl 6-[1-hydroxy-3-methyl-1-(1-tritylimidazol-4-yl)butyl]naphthalene-2-carboxylate CAS Name: 6-[1-hydroxy-3-methyl-1-[1-(triphenylmethyl)-4-imidazolyl]butyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-[1-hydroxy-3-methyl-1-(1-tritylimidazol-4-yl)butyl]naphthalene-2-carboxylate Traditional Name: 6-[1-hydroxy-3-methyl-1-(1-tritylimidazol-4-yl)butyl]naphthalene-2-carboxylic acid methyl ester Formula: C39H36N2O3 MolecularWeight: 580.71474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC2=C(C=C1)C=C(C=C2)C(=O)OC)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

Isomeric SMILES

CC(C)CC(C1=CC2=C(C=C1)C=C(C=C2)C(=O)OC)(C3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C39H36N2O3/c1-28(2)25-38(43,35-22-21-29-23-31(37(42)44-3)20-19-30(29)24-35)36-26-41(27-40-36)39(32-13-7-4-8-14-32,33-15-9-5-10-16-33)34-17-11-6-12-18-34/h4-24,26-28,43H,25H2,1-3H3