1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]-3-phenyl-indole-2-carboxylic acid

Systemtic Name: 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]-3-phenyl-indole-2-carboxylic acid Openeye Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]-3-phenyl-indole-2-carboxylic acid CAS Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]-3-phenyl-2-indolecarboxylic acid IUPAC Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-cyanophenyl)methoxy]-3-phenylindole-2-carboxylic acid Traditional Name: 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-(4-cyanobenzyl)oxy-3-phenyl-indole-2-carboxylic acid Formula: C31H21ClN2O5 MolecularWeight: 536.96184

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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=C(C=C5)C#N)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=C(C=C5)C#N)C(=C3C(=O)O)C6=CC=CC=C6)Cl

InChI

InChI=1S/C31H21ClN2O5/c32-25-14-28-27(38-18-39-28)12-22(25)16-34-26-11-10-23(37-17-20-8-6-19(15-33)7-9-20)13-24(26)29(30(34)31(35)36)21-4-2-1-3-5-21/h1-14H,16-18H2,(H,35,36)