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

Systemtic Name: methyl 3-(1-butyl-5-fluoranyl-indol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(1-butyl-5-fluoro-indol-3-yl)butanoate CAS Name: 3-(1-butyl-5-fluoro-3-indolyl)-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 3-(1-butyl-5-fluoroindol-3-yl)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1-butyl-5-fluoro-indol-3-yl)butyric acid methyl ester Formula: C25H29FN2O4 MolecularWeight: 440.507163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C2=C1C=CC(=C2)F)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C=C(C2=C1C=CC(=C2)F)C(C)C(C(=O)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29FN2O4/c1-4-5-13-28-15-21(20-14-19(26)11-12-22(20)28)17(2)23(24(29)31-3)27-25(30)32-16-18-9-7-6-8-10-18/h6-12,14-15,17,23H,4-5,13,16H2,1-3H3,(H,27,30)