2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)-2-(3-hydroxyphenyl)propanoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)-2-(3-hydroxyphenyl)propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)-2-(3-hydroxyphenyl)propanoic acid CAS Name: 2-(3-ethoxycarbonyl-2-methyl-1-indolyl)-2-(3-hydroxyphenyl)propanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-2-methylindol-1-yl)-2-(3-hydroxyphenyl)propanoic acid Traditional Name: 2-(3-carbethoxy-2-methyl-indol-1-yl)-2-(3-hydroxyphenyl)propionic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC=CC=C21)C(C)(C3=CC(=CC=C3)O)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC=CC=C21)C(C)(C3=CC(=CC=C3)O)C(=O)O)C

InChI

InChI=1S/C21H21NO5/c1-4-27-19(24)18-13(2)22(17-11-6-5-10-16(17)18)21(3,20(25)26)14-8-7-9-15(23)12-14/h5-12,23H,4H2,1-3H3,(H,25,26)