methyl 2-[[(S)-cyano-(4-ethylphenyl)methyl]amino]ethanoate

Systemtic Name: methyl 2-[[(S)-cyano-(4-ethylphenyl)methyl]amino]ethanoate Openeye Name: methyl 2-[[(S)-cyano-(4-ethylphenyl)methyl]amino]acetate CAS Name: 2-[[(S)-cyano-(4-ethylphenyl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(S)-cyano-(4-ethylphenyl)methyl]amino]acetate Traditional Name: 2-[[(S)-cyano-(4-ethylphenyl)methyl]amino]acetic acid methyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C#N)NCC(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C#N)NCC(=O)OC

InChI

InChI=1S/C13H16N2O2/c1-3-10-4-6-11(7-5-10)12(8-14)15-9-13(16)17-2/h4-7,12,15H,3,9H2,1-2H3/t12-/m1/s1