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

Systemtic Name: methyl 2-[[(S)-cyano-(4-dimethylaminophenyl)methyl]amino]ethanoate Openeye Name: methyl 2-[[(S)-cyano-(4-dimethylaminophenyl)methyl]amino]acetate CAS Name: 2-[[(S)-cyano-(4-dimethylaminophenyl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(S)-cyano-(4-dimethylaminophenyl)methyl]amino]acetate Traditional Name: 2-[[(S)-cyano-(4-dimethylaminophenyl)methyl]amino]acetic acid methyl ester Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-16(2)11-6-4-10(5-7-11)12(8-14)15-9-13(17)18-3/h4-7,12,15H,9H2,1-3H3/t12-/m1/s1