[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H21N3O3/c1-17(11-18,13-6-7-13)19-15(21)10-23-16(22)12-4-8-14(9-5-12)20(2)3/h4-5,8-9,13H,6-7,10H2,1-3H3,(H,19,21)/t17-/m0/s1