2-(3-chloranyl-5-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)propanoic acid

Systemtic Name: 2-(3-chloranyl-5-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)propanoic acid Openeye Name: 2-(3-chloro-5-hydroxy-phenyl)-2-(3-ethoxycarbonyl-2-methyl-indol-1-yl)propanoic acid CAS Name: 2-(3-chloro-5-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methyl-1-indolyl)propanoic acid IUPAC Name: 2-(3-chloro-5-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methylindol-1-yl)propanoic acid Traditional Name: 2-(3-carbethoxy-2-methyl-indol-1-yl)-2-(3-chloro-5-hydroxy-phenyl)propionic acid Formula: C21H20ClNO5 MolecularWeight: 401.8402

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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)Cl)O)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO5/c1-4-28-19(25)18-12(2)23(17-8-6-5-7-16(17)18)21(3,20(26)27)13-9-14(22)11-15(24)10-13/h5-11,24H,4H2,1-3H3,(H,26,27)