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

Systemtic Name: 1-butyl-2-[[2-(2-phenylpropan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-2-[[2-(1-methyl-1-phenyl-ethyl)tetrazol-5-yl]methyl]indole-3-carboxylic acid CAS Name: 1-butyl-2-[[2-(2-phenylpropan-2-yl)-5-tetrazolyl]methyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[[2-(2-phenylpropan-2-yl)tetrazol-5-yl]methyl]indole-3-carboxylic acid Traditional Name: 1-butyl-2-[(2-cumyltetrazol-5-yl)methyl]indole-3-carboxylic acid Formula: C24H27N5O2 MolecularWeight: 417.50348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1CC3=NN(N=N3)C(C)(C)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1CC3=NN(N=N3)C(C)(C)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H27N5O2/c1-4-5-15-28-19-14-10-9-13-18(19)22(23(30)31)20(28)16-21-25-27-29(26-21)24(2,3)17-11-7-6-8-12-17/h6-14H,4-5,15-16H2,1-3H3,(H,30,31)