methyl (3S)-3-[5-bromanyl-1-(phenylmethyl)indol-3-yl]butanoate

Systemtic Name: methyl (3S)-3-[5-bromanyl-1-(phenylmethyl)indol-3-yl]butanoate Openeye Name: methyl (3S)-3-(1-benzyl-5-bromo-indol-3-yl)butanoate CAS Name: (3S)-3-[5-bromo-1-(phenylmethyl)-3-indolyl]butanoic acid methyl ester IUPAC Name: methyl (3S)-3-(1-benzyl-5-bromoindol-3-yl)butanoate Traditional Name: (3S)-3-(1-benzyl-5-bromo-indol-3-yl)butyric acid methyl ester Formula: C20H20BrNO2 MolecularWeight: 386.2823

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](CC(=O)OC)C1=CN(C2=C1C=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO2/c1-14(10-20(23)24-2)18-13-22(12-15-6-4-3-5-7-15)19-9-8-16(21)11-17(18)19/h3-9,11,13-14H,10,12H2,1-2H3/t14-/m0/s1