2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid Openeye Name: 2-(5-benzyloxy-1H-indol-3-yl)-2-(4-benzyl-1-piperidyl)acetic acid CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidinyl]acetic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-(5-benzoxy-1H-indol-3-yl)-2-(4-benzylpiperidino)acetic acid Formula: C29H30N2O3 MolecularWeight: 454.5601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H30N2O3/c32-29(33)28(31-15-13-22(14-16-31)17-21-7-3-1-4-8-21)26-19-30-27-12-11-24(18-25(26)27)34-20-23-9-5-2-6-10-23/h1-12,18-19,22,28,30H,13-17,20H2,(H,32,33)