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

Systemtic Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]propanoic acid Openeye Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]propanoic acid CAS Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]propanoic acid Traditional Name: 3-[1-(4-bromobenzyl)-5-methoxy-2-methyl-indol-3-yl]propionic acid Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Br)C=CC(=C2)OC)CCC(=O)O

InChI

InChI=1S/C20H20BrNO3/c1-13-17(8-10-20(23)24)18-11-16(25-2)7-9-19(18)22(13)12-14-3-5-15(21)6-4-14/h3-7,9,11H,8,10,12H2,1-2H3,(H,23,24)