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

Systemtic Name: 2-[6-chloranyl-2-(3-methoxy-4-phenylmethoxy-phenyl)-7-methyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-methoxy-phenyl)-6-chloro-7-methyl-1H-indol-3-yl]acetic acid CAS Name: 2-[6-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[6-chloro-2-(3-methoxy-4-phenylmethoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-methoxy-phenyl)-6-chloro-7-methyl-1H-indol-3-yl]acetic acid Formula: C25H22ClNO4 MolecularWeight: 435.89948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1NC(=C2CC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1NC(=C2CC(=O)O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)Cl

InChI

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