methyl 3-bromanyl-2-[4-methoxy-1-(phenylmethyl)indol-3-yl]propanoate

Systemtic Name: methyl 3-bromanyl-2-[4-methoxy-1-(phenylmethyl)indol-3-yl]propanoate Openeye Name: methyl 2-(1-benzyl-4-methoxy-indol-3-yl)-3-bromo-propanoate CAS Name: 3-bromo-2-[4-methoxy-1-(phenylmethyl)-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 2-(1-benzyl-4-methoxyindol-3-yl)-3-bromopropanoate Traditional Name: 2-(1-benzyl-4-methoxy-indol-3-yl)-3-bromo-propionic acid methyl ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(CBr)C(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1C(=CN2CC3=CC=CC=C3)C(CBr)C(=O)OC

InChI

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