3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]propanoic acid Openeye Name: 3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]propanoic acid CAS Name: 3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]propanoic acid Traditional Name: 3-[2-(4-bromophenyl)-5-methyl-1H-indol-3-yl]propionic acid Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrNO2/c1-11-2-8-16-15(10-11)14(7-9-17(21)22)18(20-16)12-3-5-13(19)6-4-12/h2-6,8,10,20H,7,9H2,1H3,(H,21,22)