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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(dimethylcarbamoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-3-(dimethylcarbamoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-[dimethylamino(oxo)methyl]-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-(dimethylcarbamoyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-(dimethylcarbamoyl)-2-propyl-indole-6-carboxylic acid Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)N(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)N(C)C

InChI

InChI=1S/C22H23ClN2O3/c1-4-7-18-20(21(26)24(2)3)16-11-10-14(22(27)28)12-19(16)25(18)13-15-8-5-6-9-17(15)23/h5-6,8-12H,4,7,13H2,1-3H3,(H,27,28)