2-[2-(5-bromanyl-2-methoxy-phenyl)-5-butan-2-yl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-5-butan-2-yl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-5-butan-2-yl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-5-butan-2-yl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO3/c1-4-12(2)13-5-7-18-15(9-13)16(11-20(24)25)21(23-18)17-10-14(22)6-8-19(17)26-3/h5-10,12,23H,4,11H2,1-3H3,(H,24,25)