[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H24N2O5/c1-19(12-20,14-6-7-14)21-17(22)11-26-18(23)9-5-13-4-8-15(24-2)16(10-13)25-3/h4,8,10,14H,5-7,9,11H2,1-3H3,(H,21,22)/t19-/m0/s1