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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-2-methyl-3-(2-methylpropanoyl)indole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-isobutyryl-2-methyl-indole-6-carboxylic acid Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C21H20ClNO3/c1-12(2)20(24)19-13(3)23(11-15-6-4-5-7-17(15)22)18-10-14(21(25)26)8-9-16(18)19/h4-10,12H,11H2,1-3H3,(H,25,26)