3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)methyl]-3-phenyl-indole-2-carboxylic acid CAS Name: 3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 1-(4-benzoxybenzyl)-3-phenyl-indole-2-carboxylic acid Formula: C29H23NO3 MolecularWeight: 433.49782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H23NO3/c31-29(32)28-27(23-11-5-2-6-12-23)25-13-7-8-14-26(25)30(28)19-21-15-17-24(18-16-21)33-20-22-9-3-1-4-10-22/h1-18H,19-20H2,(H,31,32)