2-[1-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[1-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)indol-3-yl]-2-oxoacetic acid Traditional Name: 2-[1-(4-tert-butylbenzyl)-5-(4-chlorophenyl)indol-3-yl]-2-keto-acetic acid Formula: C27H24ClNO3 MolecularWeight: 445.93736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)Cl)C(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)C4=CC=C(C=C4)Cl)C(=O)C(=O)O

InChI

InChI=1S/C27H24ClNO3/c1-27(2,3)20-9-4-17(5-10-20)15-29-16-23(25(30)26(31)32)22-14-19(8-13-24(22)29)18-6-11-21(28)12-7-18/h4-14,16H,15H2,1-3H3,(H,31,32)