methyl 2-[[(S)-cyano-(3,4-dimethoxyphenyl)methyl]amino]ethanoate

Systemtic Name: methyl 2-[[(S)-cyano-(3,4-dimethoxyphenyl)methyl]amino]ethanoate Openeye Name: methyl 2-[[(S)-cyano-(3,4-dimethoxyphenyl)methyl]amino]acetate CAS Name: 2-[[(S)-cyano-(3,4-dimethoxyphenyl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(S)-cyano-(3,4-dimethoxyphenyl)methyl]amino]acetate Traditional Name: 2-[[(S)-cyano-(3,4-dimethoxyphenyl)methyl]amino]acetic acid methyl ester Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)NCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C#N)NCC(=O)OC)OC

InChI

InChI=1S/C13H16N2O4/c1-17-11-5-4-9(6-12(11)18-2)10(7-14)15-8-13(16)19-3/h4-6,10,15H,8H2,1-3H3/t10-/m1/s1