1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-5-phenylmethoxy-indole-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(4-fluorophenyl)indole-2-carboxylic acid Formula: C30H21ClFNO5 MolecularWeight: 529.942843

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C(=C3C(=O)O)C6=CC=C(C=C6)F)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C(=C3C(=O)O)C6=CC=C(C=C6)F)Cl

InChI

InChI=1S/C30H21ClFNO5/c31-24-14-27-26(37-17-38-27)12-20(24)15-33-25-11-10-22(36-16-18-4-2-1-3-5-18)13-23(25)28(29(33)30(34)35)19-6-8-21(32)9-7-19/h1-14H,15-17H2,(H,34,35)