2-(6-bromanyl-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(1-naphthalenylmethyl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazino]acetic acid Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(C4=CNC5=C4C=CC(=C5)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(C4=CNC5=C4C=CC(=C5)Br)C(=O)O

InChI

InChI=1S/C25H24BrN3O2/c26-19-8-9-21-22(15-27-23(21)14-19)24(25(30)31)29-12-10-28(11-13-29)16-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,14-15,24,27H,10-13,16H2,(H,30,31)