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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-3-(2-methylpropanoyl)indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-3-(2-methylpropanoyl)indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-3-(2-methyl-1-oxopropyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-2-(methoxymethyl)-3-(2-methylpropanoyl)indole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-isobutyryl-2-(methoxymethyl)indole-6-carboxylic acid Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=C(N(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl)COC

Isomeric SMILES

CC(C)C(=O)C1=C(N(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl)COC

InChI

InChI=1S/C22H22ClNO4/c1-13(2)21(25)20-16-9-8-14(22(26)27)10-18(16)24(19(20)12-28-3)11-15-6-4-5-7-17(15)23/h4-10,13H,11-12H2,1-3H3,(H,26,27)