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

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

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO3/c1-3-17-20(19(24)4-2)15-10-9-13(21(25)26)11-18(15)23(17)12-14-7-5-6-8-16(14)22/h5-11H,3-4,12H2,1-2H3,(H,25,26)