3-(4-tert-butylphenyl)-1-(phenylmethyl)-5-pyrrol-1-yl-indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-(phenylmethyl)-5-pyrrol-1-yl-indole-2-carboxylic acid Openeye Name: 1-benzyl-3-(4-tert-butylphenyl)-5-pyrrol-1-yl-indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-(phenylmethyl)-5-(1-pyrrolyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-(4-tert-butylphenyl)-5-pyrrol-1-ylindole-2-carboxylic acid Traditional Name: 1-benzyl-3-(4-tert-butylphenyl)-5-pyrrol-1-yl-indole-2-carboxylic acid Formula: C30H28N2O2 MolecularWeight: 448.55552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)N4C=CC=C4)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=C2C=C(C=C3)N4C=CC=C4)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H28N2O2/c1-30(2,3)23-13-11-22(12-14-23)27-25-19-24(31-17-7-8-18-31)15-16-26(25)32(28(27)29(33)34)20-21-9-5-4-6-10-21/h4-19H,20H2,1-3H3,(H,33,34)