1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-2-ethyl-3-(2-methylpropanoyl)indole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-2-ethyl-3-isobutyryl-indole-6-carboxylic acid Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C22H22ClNO3/c1-4-18-20(21(25)13(2)3)16-10-9-14(22(26)27)11-19(16)24(18)12-15-7-5-6-8-17(15)23/h5-11,13H,4,12H2,1-3H3,(H,26,27)