2-(5-tert-butyl-1H-indol-3-yl)-3-(4-chlorophenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-chlorophenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-chlorophenyl)-3-oxo-propanoic acid CAS Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-chlorophenyl)-3-oxopropanoic acid IUPAC Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-chlorophenyl)-3-oxopropanoic acid Traditional Name: 2-(5-tert-butyl-1H-indol-3-yl)-3-(4-chlorophenyl)-3-keto-propionic acid Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC=C2C(C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC=C2C(C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H20ClNO3/c1-21(2,3)13-6-9-17-15(10-13)16(11-23-17)18(20(25)26)19(24)12-4-7-14(22)8-5-12/h4-11,18,23H,1-3H3,(H,25,26)