4-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]butanoic acid

Systemtic Name: 4-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]butanoic acid Openeye Name: 4-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]butanoic acid CAS Name: 4-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]butanoic acid IUPAC Name: 4-[2-ethoxycarbonyl-7-(sulfomethyl)-1H-indol-3-yl]butanoic acid Traditional Name: 4-[2-carbethoxy-7-(sulfomethyl)-1H-indol-3-yl]butyric acid Formula: C16H19NO7S MolecularWeight: 369.38956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C(=CC=C2)CS(=O)(=O)O)CCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C(=CC=C2)CS(=O)(=O)O)CCCC(=O)O

InChI

InChI=1S/C16H19NO7S/c1-2-24-16(20)15-12(7-4-8-13(18)19)11-6-3-5-10(14(11)17-15)9-25(21,22)23/h3,5-6,17H,2,4,7-9H2,1H3,(H,18,19)(H,21,22,23)