1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-ethanoyl-2-propyl-indole-6-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-ethanoyl-2-propyl-indole-6-carboxylic acid Openeye Name: 3-acetyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-indole-6-carboxylic acid CAS Name: 3-acetyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-6-indolecarboxylic acid IUPAC Name: 3-acetyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propylindole-6-carboxylic acid Traditional Name: 3-acetyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-indole-6-carboxylic acid Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=C(C=C2)C(=O)O)C(=O)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3Cl)OCO4)C=C(C=C2)C(=O)O)C(=O)C

InChI

InChI=1S/C22H20ClNO5/c1-3-4-17-21(12(2)25)15-6-5-13(22(26)27)7-18(15)24(17)10-14-8-19-20(9-16(14)23)29-11-28-19/h5-9H,3-4,10-11H2,1-2H3,(H,26,27)