(2S)-1-[(2S,4R)-4-(2,6-dimethoxy-3-oxidanyl-phenyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S,4R)-4-(2,6-dimethoxy-3-oxidanyl-phenyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S,4R)-4-(3-hydroxy-2,6-dimethoxy-phenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[[(2S,4R)-4-(3-hydroxy-2,6-dimethoxyphenyl)-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S,4R)-4-(3-hydroxy-2,6-dimethoxyphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S,4R)-4-(3-hydroxy-2,6-dimethoxy-phenyl)prolyl]pyrrolidine-2-carbonitrile Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)O)OC)C2CC(NC2)C(=O)N3CCCC3C#N

Isomeric SMILES

COC1=C(C(=C(C=C1)O)OC)[C@H]2C[C@H](NC2)C(=O)N3CCC[C@H]3C#N

InChI

InChI=1S/C18H23N3O4/c1-24-15-6-5-14(22)17(25-2)16(15)11-8-13(20-10-11)18(23)21-7-3-4-12(21)9-19/h5-6,11-13,20,22H,3-4,7-8,10H2,1-2H3/t11-,12-,13-/m0/s1