1-butyl-2-[oxidanyl-[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[oxidanyl-[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-2-[hydroxy-[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]indole-3-carboxylic acid CAS Name: 1-butyl-2-[hydroxy-[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[hydroxy-[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]indole-3-carboxylic acid Traditional Name: 1-butyl-2-[hydroxy-[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]indole-3-carboxylic acid Formula: C46H39N5O3 MolecularWeight: 709.83356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O)C(=O)O

InChI

InChI=1S/C46H39N5O3/c1-2-3-31-50-40-26-16-15-25-39(40)41(45(53)54)42(50)43(52)33-29-27-32(28-30-33)37-23-13-14-24-38(37)44-47-49-51(48-44)46(34-17-7-4-8-18-34,35-19-9-5-10-20-35)36-21-11-6-12-22-36/h4-30,43,52H,2-3,31H2,1H3,(H,53,54)