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

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-phenyl-indole-2-carboxylic acid Formula: C30H22ClNO5 MolecularWeight: 511.95238

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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=CC=C6)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=CC=C6)Cl

InChI

InChI=1S/C30H22ClNO5/c31-24-15-27-26(36-18-37-27)13-21(24)16-32-25-12-11-22(35-17-19-7-3-1-4-8-19)14-23(25)28(29(32)30(33)34)20-9-5-2-6-10-20/h1-15H,16-18H2,(H,33,34)