2-[7-chloranyl-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-2-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3,5-dimethoxy-phenyl)-7-chloro-1H-indol-3-yl]acetic acid CAS Name: 2-[7-chloro-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[7-chloro-2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3,5-dimethoxy-phenyl)-7-chloro-1H-indol-3-yl]acetic acid Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3=C(C4=C(N3)C(=CC=C4)Cl)CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C3=C(C4=C(N3)C(=CC=C4)Cl)CC(=O)O

InChI

InChI=1S/C25H22ClNO5/c1-30-20-11-16(12-21(31-2)25(20)32-14-15-7-4-3-5-8-15)23-18(13-22(28)29)17-9-6-10-19(26)24(17)27-23/h3-12,27H,13-14H2,1-2H3,(H,28,29)