[4-[(1R,2S)-2-cyano-2-pyrrolidin-1-ylcarbonyl-cyclopropyl]phenyl] ethanoate

Systemtic Name: [4-[(1R,2S)-2-cyano-2-pyrrolidin-1-ylcarbonyl-cyclopropyl]phenyl] ethanoate Openeye Name: [4-[(1R,2S)-2-cyano-2-(pyrrolidine-1-carbonyl)cyclopropyl]phenyl] acetate CAS Name: acetic acid [4-[(1R,2S)-2-cyano-2-[oxo(1-pyrrolidinyl)methyl]cyclopropyl]phenyl] ester IUPAC Name: [4-[(1R,2S)-2-cyano-2-(pyrrolidine-1-carbonyl)cyclopropyl]phenyl] acetate Traditional Name: acetic acid [4-[(1R,2S)-2-cyano-2-(pyrrolidine-1-carbonyl)cyclopropyl]phenyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2CC2(C#N)C(=O)N3CCCC3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)[C@H]2C[C@]2(C#N)C(=O)N3CCCC3

InChI

InChI=1S/C17H18N2O3/c1-12(20)22-14-6-4-13(5-7-14)15-10-17(15,11-18)16(21)19-8-2-3-9-19/h4-7,15H,2-3,8-10H2,1H3/t15-,17-/m1/s1