[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-ethoxybenzoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C17H20N2O4/c1-3-22-14-8-4-12(5-9-14)16(21)23-10-15(20)19-17(2,11-18)13-6-7-13/h4-5,8-9,13H,3,6-7,10H2,1-2H3,(H,19,20)/t17-/m1/s1