methyl 3-(5-fluoranyl-1-methyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: methyl 3-(5-fluoranyl-1-methyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(5-fluoro-1-methyl-indol-3-yl)butanoate CAS Name: 3-(5-fluoro-1-methyl-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 3-(5-fluoro-1-methylindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(5-fluoro-1-methyl-indol-3-yl)butyric acid methyl ester Formula: C22H23FN2O4 MolecularWeight: 398.427423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C2=C1C=C(C=C2)F)C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C1=CN(C2=C1C=C(C=C2)F)C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23FN2O4/c1-14(18-12-25(2)19-10-9-16(23)11-17(18)19)20(21(26)28-3)24-22(27)29-13-15-7-5-4-6-8-15/h4-12,14,20H,13H2,1-3H3,(H,24,27)