2-[chloranyl(phenyl)methyl]-3-propanoyl-2-propyl-indole-6-carboxylic acid

Systemtic Name: 2-[chloranyl(phenyl)methyl]-3-propanoyl-2-propyl-indole-6-carboxylic acid Openeye Name: 2-[chloro(phenyl)methyl]-3-propanoyl-2-propyl-indole-6-carboxylic acid CAS Name: 2-[chloro(phenyl)methyl]-3-(1-oxopropyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 2-[chloro(phenyl)methyl]-3-propanoyl-2-propylindole-6-carboxylic acid Traditional Name: 2-[chloro(phenyl)methyl]-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(=C2C=CC(=CC2=N1)C(=O)O)C(=O)CC)C(C3=CC=CC=C3)Cl

Isomeric SMILES

CCCC1(C(=C2C=CC(=CC2=N1)C(=O)O)C(=O)CC)C(C3=CC=CC=C3)Cl

InChI

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