3-[4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylphenyl]propanoic acid Openeye Name: 3-[4-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-5-yl)oxysulfonylphenyl]propanoic acid CAS Name: 3-[4-[(3-ethoxycarbonyl-1-ethyl-2-methyl-5-indolyl)oxysulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-(3-ethoxycarbonyl-1-ethyl-2-methylindol-5-yl)oxysulfonylphenyl]propanoic acid Traditional Name: 3-[4-(3-carbethoxy-1-ethyl-2-methyl-indol-5-yl)oxysulfonylphenyl]propionic acid Formula: C23H25NO7S MolecularWeight: 459.5121

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C(=O)OCC)C

InChI

InChI=1S/C23H25NO7S/c1-4-24-15(3)22(23(27)30-5-2)19-14-17(9-12-20(19)24)31-32(28,29)18-10-6-16(7-11-18)8-13-21(25)26/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,25,26)