2-[6-chloranyl-2-(3-ethoxy-4-phenylmethoxy-phenyl)-7-methyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-2-(3-ethoxy-4-phenylmethoxy-phenyl)-7-methyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-ethoxy-phenyl)-6-chloro-7-methyl-1H-indol-3-yl]acetic acid CAS Name: 2-[6-chloro-2-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[6-chloro-2-(3-ethoxy-4-phenylmethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-ethoxy-phenyl)-6-chloro-7-methyl-1H-indol-3-yl]acetic acid Formula: C26H24ClNO4 MolecularWeight: 449.92606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C(=C(C=C3)Cl)C)CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C3=C(N2)C(=C(C=C3)Cl)C)CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24ClNO4/c1-3-31-23-13-18(9-12-22(23)32-15-17-7-5-4-6-8-17)26-20(14-24(29)30)19-10-11-21(27)16(2)25(19)28-26/h4-13,28H,3,14-15H2,1-2H3,(H,29,30)