3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(cyclopentoxy)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[(3-cyclopentyloxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(cyclopentoxy)benzyl]indole-2-carboxylic acid Formula: C31H33NO3 MolecularWeight: 467.59862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OC5CCCC5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OC5CCCC5)C(=O)O

InChI

InChI=1S/C31H33NO3/c1-31(2,3)23-17-15-22(16-18-23)28-26-13-6-7-14-27(26)32(29(28)30(33)34)20-21-9-8-12-25(19-21)35-24-10-4-5-11-24/h6-9,12-19,24H,4-5,10-11,20H2,1-3H3,(H,33,34)