[4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl] 3-methyl-2-pentanoyl-anthracene-1-carboxylate

Systemtic Name: [4-phenyl-3-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl] 3-methyl-2-pentanoyl-anthracene-1-carboxylate Openeye Name: [4-phenyl-3-(1-trityltetrazol-5-yl)phenyl] 3-methyl-2-pentanoyl-anthracene-1-carboxylate CAS Name: 3-methyl-2-(1-oxopentyl)-1-anthracenecarboxylic acid [4-phenyl-3-[1-(triphenylmethyl)-5-tetrazolyl]phenyl] ester IUPAC Name: [4-phenyl-3-(1-trityltetrazol-5-yl)phenyl] 3-methyl-2-pentanoylanthracene-1-carboxylate Traditional Name: 3-methyl-2-valeryl-anthracene-1-carboxylic acid [4-phenyl-3-(1-trityltetrazol-5-yl)phenyl] ester Formula: C53H42N4O3 MolecularWeight: 782.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C2=CC3=CC=CC=C3C=C2C=C1C)C(=O)OC4=CC(=C(C=C4)C5=CC=CC=C5)C6=NN=NN6C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCCCC(=O)C1=C(C2=CC3=CC=CC=C3C=C2C=C1C)C(=O)OC4=CC(=C(C=C4)C5=CC=CC=C5)C6=NN=NN6C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C53H42N4O3/c1-3-4-29-48(58)49-36(2)32-40-33-38-21-17-18-22-39(38)34-46(40)50(49)52(59)60-44-30-31-45(37-19-9-5-10-20-37)47(35-44)51-54-55-56-57(51)53(41-23-11-6-12-24-41,42-25-13-7-14-26-42)43-27-15-8-16-28-43/h5-28,30-35H,3-4,29H2,1-2H3