4-[[1-(2,2-dimethylpropyl)-4-propyl-indol-5-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[1-(2,2-dimethylpropyl)-4-propyl-indol-5-yl]oxymethyl]benzoic acid Openeye Name: 4-[[1-(2,2-dimethylpropyl)-4-propyl-indol-5-yl]oxymethyl]benzoic acid CAS Name: 4-[[1-(2,2-dimethylpropyl)-4-propyl-5-indolyl]oxymethyl]benzoic acid IUPAC Name: 4-[[1-(2,2-dimethylpropyl)-4-propylindol-5-yl]oxymethyl]benzoic acid Traditional Name: 4-[(1-neopentyl-4-propyl-indol-5-yl)oxymethyl]benzoic acid Formula: C24H29NO3 MolecularWeight: 379.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1C=CN2CC(C)(C)C)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1C=CN2CC(C)(C)C)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H29NO3/c1-5-6-20-19-13-14-25(16-24(2,3)4)21(19)11-12-22(20)28-15-17-7-9-18(10-8-17)23(26)27/h7-14H,5-6,15-16H2,1-4H3,(H,26,27)