2-[2-(4-bromophenyl)-5-butyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(4-bromophenyl)-5-butyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-bromophenyl)-5-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(4-bromophenyl)-5-butyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(4-bromophenyl)-5-butyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-bromophenyl)-5-butyl-1H-indol-3-yl]acetic acid Formula: C20H20BrNO2 MolecularWeight: 386.2823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO2/c1-2-3-4-13-5-10-18-16(11-13)17(12-19(23)24)20(22-18)14-6-8-15(21)9-7-14/h5-11,22H,2-4,12H2,1H3,(H,23,24)