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

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

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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)CC

Isomeric SMILES

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

InChI

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