methyl 3-(3,4-dimethoxyphenyl)-3-[(5-fluoranyl-1H-indol-2-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-fluoranyl-1H-indol-2-yl)carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-fluoro-1H-indole-2-carbonyl)amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[(5-fluoro-1H-indol-2-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-fluoro-1H-indole-2-carbonyl)amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[(5-fluoro-1H-indole-2-carbonyl)amino]propionic acid methyl ester Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(N2)C=CC(=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(N2)C=CC(=C3)F)OC

InChI

InChI=1S/C21H21FN2O5/c1-27-18-7-4-12(10-19(18)28-2)16(11-20(25)29-3)24-21(26)17-9-13-8-14(22)5-6-15(13)23-17/h4-10,16,23H,11H2,1-3H3,(H,24,26)