[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic acid [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)NC(C)(C#N)C(C)C)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)OC

InChI

InChI=1S/C19H26N2O5/c1-6-25-10-15-9-14(7-8-16(15)24-5)18(23)26-11-17(22)21-19(4,12-20)13(2)3/h7-9,13H,6,10-11H2,1-5H3,(H,21,22)/t19-/m1/s1