2-[propyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[propyl-[[4-[2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid Openeye Name: 2-[propyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid CAS Name: 2-[propyl-[[4-[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]amino]-3-pyridinecarboxylic acid IUPAC Name: 2-[propyl-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid Traditional Name: 2-[propyl-[4-[2-(1-trityltetrazol-5-yl)phenyl]benzyl]amino]nicotinic acid Formula: C42H36N6O2 MolecularWeight: 656.77424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=C(C=CC=N7)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN=NN3C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=C(C=CC=N7)C(=O)O

InChI

InChI=1S/C42H36N6O2/c1-2-29-47(39-38(41(49)50)23-14-28-43-39)30-31-24-26-32(27-25-31)36-21-12-13-22-37(36)40-44-45-46-48(40)42(33-15-6-3-7-16-33,34-17-8-4-9-18-34)35-19-10-5-11-20-35/h3-28H,2,29-30H2,1H3,(H,49,50)