[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenoxy)ethanoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenoxy)ethanoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2-(3,4-dimethylphenoxy)acetate CAS Name: 2-(3,4-dimethylphenoxy)acetic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate Traditional Name: 2-(3,4-dimethylphenoxy)acetic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)OCC(=O)NC(C)(C#N)C2CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C

InChI

InChI=1S/C18H22N2O4/c1-12-4-7-15(8-13(12)2)23-10-17(22)24-9-16(21)20-18(3,11-19)14-5-6-14/h4,7-8,14H,5-6,9-10H2,1-3H3,(H,20,21)/t18-/m1/s1