(2S,4S)-1-[2-(3,4-dihydro-2H-chromen-4-ylamino)ethanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile

Systemtic Name: (2S,4S)-1-[2-(3,4-dihydro-2H-chromen-4-ylamino)ethanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: (2S,4S)-1-[2-(chroman-4-ylamino)acetyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: (2S,4S)-1-[2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-1-oxoethyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: (2S,4S)-1-[2-(3,4-dihydro-2H-chromen-4-ylamino)acetyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: (2S,4S)-1-[2-(chroman-4-ylamino)acetyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C16H18FN3O2 MolecularWeight: 303.331423

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NCC(=O)N3CC(CC3C#N)F

Isomeric SMILES

C1COC2=CC=CC=C2C1NCC(=O)N3C[C@H](C[C@H]3C#N)F

InChI

InChI=1S/C16H18FN3O2/c17-11-7-12(8-18)20(10-11)16(21)9-19-14-5-6-22-15-4-2-1-3-13(14)15/h1-4,11-12,14,19H,5-7,9-10H2/t11-,12-,14?/m0/s1