1-(4-tert-butylphenyl)-6-chloranyl-3-(3-propan-2-ylphenoxy)indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butylphenyl)-6-chloranyl-3-(3-propan-2-ylphenoxy)indole-2-carboxylic acid Openeye Name: 1-(4-tert-butylphenyl)-6-chloro-3-(3-isopropylphenoxy)indole-2-carboxylic acid CAS Name: 1-(4-tert-butylphenyl)-6-chloro-3-(3-propan-2-ylphenoxy)-2-indolecarboxylic acid IUPAC Name: 1-(4-tert-butylphenyl)-6-chloro-3-(3-propan-2-ylphenoxy)indole-2-carboxylic acid Traditional Name: 1-(4-tert-butylphenyl)-6-chloro-3-(3-isopropylphenoxy)indole-2-carboxylic acid Formula: C28H28ClNO3 MolecularWeight: 461.97982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC2=C(N(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C28H28ClNO3/c1-17(2)18-7-6-8-22(15-18)33-26-23-14-11-20(29)16-24(23)30(25(26)27(31)32)21-12-9-19(10-13-21)28(3,4)5/h6-17H,1-5H3,(H,31,32)