2-(6-bromanyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-yl]ethanoic acid Openeye Name: 2-(4-benzyl-1-piperidyl)-2-(6-bromo-1H-indol-3-yl)acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidinyl]acetic acid IUPAC Name: 2-(4-benzylpiperidin-1-yl)-2-(6-bromo-1H-indol-3-yl)acetic acid Traditional Name: 2-(4-benzylpiperidino)-2-(6-bromo-1H-indol-3-yl)acetic acid Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O2/c23-17-6-7-18-19(14-24-20(18)13-17)21(22(26)27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13-14,16,21,24H,8-12H2,(H,26,27)