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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyethanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyacetyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxy-1-oxoethyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyacetyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-methoxyacetyl)-2-propyl-indole-6-carboxylic acid Formula: C23H22ClNO6 MolecularWeight: 443.87688

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO6/c1-3-4-17-22(19(26)11-29-2)15-6-5-13(23(27)28)7-18(15)25(17)10-14-8-20-21(9-16(14)24)31-12-30-20/h5-9H,3-4,10-12H2,1-2H3,(H,27,28)