3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-1,2,3,4-tetrazol-5-ylmethyl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-1,2,3,4-tetrazol-5-ylmethyl)indole-6-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-3-cyclohexyl-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-3-cyclohexyl-1-(2H-tetrazol-5-ylmethyl)indole-6-carboxylic acid Formula: C30H29N5O3 MolecularWeight: 507.58296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=NNN=N4)C5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=NNN=N4)C5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C30H29N5O3/c36-30(37)23-13-16-25-26(17-23)35(18-27-31-33-34-32-27)29(28(25)21-9-5-2-6-10-21)22-11-14-24(15-12-22)38-19-20-7-3-1-4-8-20/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18-19H2,(H,36,37)(H,31,32,33,34)