2-butyl-1-(carboxymethyl)-3-(2-methoxycarbonylcyclopenten-1-yl)indole-6-carboxylic acid

Systemtic Name: 2-butyl-1-(carboxymethyl)-3-(2-methoxycarbonylcyclopenten-1-yl)indole-6-carboxylic acid Openeye Name: 2-butyl-1-(carboxymethyl)-3-(2-methoxycarbonylcyclopenten-1-yl)indole-6-carboxylic acid CAS Name: 2-butyl-1-(carboxymethyl)-3-(2-methoxycarbonyl-1-cyclopentenyl)-6-indolecarboxylic acid IUPAC Name: 2-butyl-1-(carboxymethyl)-3-(2-methoxycarbonylcyclopenten-1-yl)indole-6-carboxylic acid Traditional Name: 2-butyl-3-(2-carbomethoxycyclopenten-1-yl)-1-(carboxymethyl)indole-6-carboxylic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1CC(=O)O)C=C(C=C2)C(=O)O)C3=C(CCC3)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=C(N1CC(=O)O)C=C(C=C2)C(=O)O)C3=C(CCC3)C(=O)OC

InChI

InChI=1S/C22H25NO6/c1-3-4-8-17-20(14-6-5-7-15(14)22(28)29-2)16-10-9-13(21(26)27)11-18(16)23(17)12-19(24)25/h9-11H,3-8,12H2,1-2H3,(H,24,25)(H,26,27)