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

Systemtic Name: 2-[7-chloranyl-2-(3-ethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-ethoxy-phenyl)-7-chloro-1H-indol-3-yl]acetic acid CAS Name: 2-[7-chloro-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[7-chloro-2-(3-ethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-ethoxy-phenyl)-7-chloro-1H-indol-3-yl]acetic acid Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClNO4/c1-2-30-22-13-17(11-12-21(22)31-15-16-7-4-3-5-8-16)24-19(14-23(28)29)18-9-6-10-20(26)25(18)27-24/h3-13,27H,2,14-15H2,1H3,(H,28,29)